BindingDB Reactant_set_id Ligand SMILES Ligand InChI Ligand InChI Key BindingDB MonomerID BindingDB Ligand Name Target Name Target Source Organism According to Curator or DataSource Ki (nM) IC50 (nM) Kd (nM) EC50 (nM) kon (M-1-s-1) koff (s-1) pH Temp (C) Curation/DataSource Article DOI BindingDB Entry DOI PMID PubChem AID Patent Number Authors Institution Link to Ligand in BindingDB Link to Target in BindingDB Link to Ligand-Target Pair in BindingDB Ligand HET ID in PDB PDB ID(s) for Ligand-Target Complex PubChem CID of Ligand PubChem SID of Ligand ChEBI ID of Ligand ChEMBL ID of Ligand DrugBank ID of Ligand IUPHAR_GRAC ID of Ligand KEGG ID of Ligand ZINC ID of Ligand Number of Protein Chains in Target (>1 implies a multichain complex) BindingDB Target Chain Sequence PDB ID(s) of Target Chain UniProt (SwissProt) Recommended Name of Target Chain UniProt (SwissProt) Entry Name of Target Chain UniProt (SwissProt) Primary ID of Target Chain UniProt (SwissProt) Secondary ID(s) of Target Chain UniProt (SwissProt) Alternative ID(s) of Target Chain UniProt (TrEMBL) Submitted Name of Target Chain UniProt (TrEMBL) Entry Name of Target Chain UniProt (TrEMBL) Primary ID of Target Chain UniProt (TrEMBL) Secondary ID(s) of Target Chain UniProt (TrEMBL) Alternative ID(s) of Target Chain 372316 CO[C@@H]1[C@@H](C)CC2(Cc3ccc(Br)cc3[C@@]22N=C(C)C(N)=N2)C[C@H]1C InChI=1S/C20H26BrN3O/c1-11-8-19(9-12(2)17(11)25-4)10-14-5-6-15(21)7-16(14)20(19)23-13(3)18(22)24-20/h5-7,11-12,17H,8-10H2,1-4H3,(H2,22,24)/t11-,12+,17+,19?,20-/m0/s1 WHIOHQNSMXUMLN-SJXAAYCFSA-N 210883 US9290477, 1 Beta-secretase 1 [1-454] 4 4.4 US Patent 10.7270/Q2C82853 aid1802354 US9290477 Venkatraman, S; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=210883 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8809&target=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=210883&enzyme=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search 73507012 329586849 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDEST 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 372317 CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)[N+]#[C-])C[C@H]1C InChI=1S/C21H26N4O/c1-12-9-20(10-13(2)18(12)26-5)11-15-6-7-16(23-4)8-17(15)21(20)24-14(3)19(22)25-21/h6-8,12-13,18H,9-11H2,1-3,5H3,(H2,22,25)/t12-,13+,18+,20+,21-/m0/s1 XDEYYVVDSVTBMO-RSFMMIOLSA-N 210884 US9290477, 2 Beta-secretase 1 [1-454] 3.5 4.4 US Patent 10.7270/Q2C82853 aid1802354 US9290477 Venkatraman, S; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=210884 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8809&target=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=210884&enzyme=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search 123509308 329586850 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDEST 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 372318 C[C@H]1C[C@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)[N+]#[C-])C[C@@H](C)[C@@H]1O InChI=1S/C20H24N4O/c1-11-8-19(9-12(2)17(11)25)10-14-5-6-15(22-4)7-16(14)20(19)23-13(3)18(21)24-20/h5-7,11-12,17,25H,8-10H2,1-3H3,(H2,21,24)/t11-,12+,17+,19+,20-/m0/s1 WLGIAANTNKCBRY-VIWMDICNSA-N 210885 US9290477, 3 Beta-secretase 1 [1-454] 37 4.4 US Patent 10.7270/Q2C82853 aid1802354 US9290477 Venkatraman, S; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=210885 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8809&target=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=210885&enzyme=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search 123310532 329586851 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDEST 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 372319 CO[C@H]1CC[C@@]2(Cc3ccc(Br)cc3C22N=C(C)C(N)=N2)C[C@@H]1C InChI=1S/C19H24BrN3O/c1-11-9-18(7-6-16(11)24-3)10-13-4-5-14(20)8-15(13)19(18)22-12(2)17(21)23-19/h4-5,8,11,16H,6-7,9-10H2,1-3H3,(H2,21,23)/t11-,16-,18-,19?/m0/s1 LPEDDJYTCHCOMZ-RLYXYAJOSA-N 210886 US9290477, 4 Beta-secretase 1 [1-454] 16.3 4.4 US Patent 10.7270/Q2C82853 aid1802354 US9290477 Venkatraman, S; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=210886 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8809&target=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=210886&enzyme=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search 118375102 329586852 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDEST 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 372320 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)[N+]#[C-])C[C@@H]1C InChI=1S/C20H24N4O/c1-12-10-19(8-7-17(12)25-4)11-14-5-6-15(22-3)9-16(14)20(19)23-13(2)18(21)24-20/h5-6,9,12,17H,7-8,10-11H2,1-2,4H3,(H2,21,24)/t12-,17-,19-,20-/m0/s1 CSFWMJVQCPORFV-BRUFTZQQSA-N 210887 US9290477, 5 Beta-secretase 1 [1-454] 1.5 4.4 US Patent 10.7270/Q2C82853 aid1802354 US9290477 Venkatraman, S; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=210887 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8809&target=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=210887&enzyme=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search 123363280 329586853 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDEST 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 372321 CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cncc(F)c2)C[C@H]1C InChI=1S/C25H29FN4O/c1-14-9-24(10-15(2)22(14)31-4)11-18-6-5-17(19-7-20(26)13-28-12-19)8-21(18)25(24)29-16(3)23(27)30-25/h5-8,12-15,22H,9-11H2,1-4H3,(H2,27,30)/t14-,15+,22+,24+,25-/m0/s1 LRKONDKPAUBJIK-KOSOGBMQSA-N 210888 US9290477, 6 Beta-secretase 1 [1-454] 1.5 4.4 US Patent 10.7270/Q2C82853 aid1802354 US9290477 Venkatraman, S; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=210888 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8809&target=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=210888&enzyme=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search 73425804 329586854 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDEST 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 372322 CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)C[C@H]1C InChI=1S/C28H32N4O/c1-6-7-20-10-23(16-30-15-20)21-8-9-22-14-27(12-17(2)25(33-5)18(3)13-27)28(24(22)11-21)31-19(4)26(29)32-28/h8-11,15-18,25H,12-14H2,1-5H3,(H2,29,32)/t17-,18+,25+,27+,28-/m0/s1 HBTQOOAUHHGLEO-CBGRAPDISA-N 210889 US9290477, 7 Beta-secretase 1 [1-454] 8.2 4.4 US Patent 10.7270/Q2C82853 aid1802354 US9290477 Venkatraman, S; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=210889 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8809&target=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=210889&enzyme=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search 118375103 329586855 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDEST 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451979 CC[C@@H]1C[C@@]2(Cc3ccc(cc3[C@]22N=C(N)N(Cc3ncccn3)C2=O)C#N)CC[C@H]1OC InChI=1S/C25H28N6O2/c1-3-17-12-24(8-7-20(17)33-2)13-18-6-5-16(14-26)11-19(18)25(24)22(32)31(23(27)30-25)15-21-28-9-4-10-29-21/h4-6,9-11,17,20H,3,7-8,12-13,15H2,1-2H3,(H2,27,30)/t17-,20-,24-,25-/m1/s1 SRHMVRLLYWIEOI-POBVKMQOSA-N 259488 US9526727, 1::US9949975, Example 1 Beta-secretase 1 [1-454] 11 4.4 US Patent 10.7270/Q2K936GW aid1803656 US9526727 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceutical, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259488 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8809&target=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259488&enzyme=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search 71727146 350084182 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDEST 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451980 CC[C@@H]1C[C@@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC3CCOCC3)C2=O)C#N)CC[C@H]1OC InChI=1S/C26H34N4O3/c1-3-19-13-25(9-6-22(19)32-2)14-20-5-4-18(15-27)12-21(20)26(25)23(31)30(24(28)29-26)16-17-7-10-33-11-8-17/h4-5,12,17,19,22H,3,6-11,13-14,16H2,1-2H3,(H2,28,29)/t19-,22-,25-,26-/m1/s1 UJANDVCNDHMIFD-CMUPFOSCSA-N 150695 US8981112, 2::US9526727, 2::US9949975, Example 2 Beta-secretase 1 [1-454] 8 4.4 US Patent 10.7270/Q2K936GW aid1803656 US9526727 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceutical, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150695 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8809&target=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150695&enzyme=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search 71727147 252824946 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDEST 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451981 CC[C@@H]1C[C@@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC(C)(C)F)C2=O)C#N)CC[C@H]1OC InChI=1S/C24H31FN4O2/c1-5-16-11-23(9-8-19(16)31-4)12-17-7-6-15(13-26)10-18(17)24(23)20(30)29(21(27)28-24)14-22(2,3)25/h6-7,10,16,19H,5,8-9,11-12,14H2,1-4H3,(H2,27,28)/t16-,19-,23-,24-/m1/s1 SQCFBTIRDMHJJB-MVPFYTHOSA-N 150696 US8981112, 3::US9526727, 3::US9949975, Example 3 Beta-secretase 1 [1-454] 10 4.4 US Patent 10.7270/Q2K936GW aid1803656 US9526727 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceutical, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8809&target=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150696&enzyme=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search 89879584 252824947 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDEST 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451982 CC[C@@H]1C[C@@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC3(F)CCOCC3)C2=O)C#N)CC[C@H]1OC InChI=1S/C26H33FN4O3/c1-3-18-13-24(7-6-21(18)33-2)14-19-5-4-17(15-28)12-20(19)26(24)22(32)31(23(29)30-26)16-25(27)8-10-34-11-9-25/h4-5,12,18,21H,3,6-11,13-14,16H2,1-2H3,(H2,29,30)/t18-,21-,24-,26-/m1/s1 QXSKKNJNJXCPLU-TZIFIOAZSA-N 150697 US8981112, 4::US9526727, 4 Beta-secretase 1 [1-454] 5 4.4 US Patent 10.7270/Q2K936GW aid1803656 US9526727 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceutical, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150697 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8809&target=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150697&enzyme=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search 71727266 252824948 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDEST 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451983 CC[C@@H]1C[C@@]2(Cc3ccc(cc3[C@]22N=C(N)N(C[C@H]3CCCO3)C2=O)C#N)CC[C@H]1OC InChI=1S/C25H32N4O3/c1-3-17-12-24(9-8-21(17)31-2)13-18-7-6-16(14-26)11-20(18)25(24)22(30)29(23(27)28-25)15-19-5-4-10-32-19/h6-7,11,17,19,21H,3-5,8-10,12-13,15H2,1-2H3,(H2,27,28)/t17-,19-,21-,24-,25-/m1/s1 YXYULMWUAULFQM-SZAJALNSSA-N 259489 US9526727, 5 Beta-secretase 1 [1-454] 8 4.4 US Patent 10.7270/Q2K936GW aid1803656 US9526727 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceutical, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259489 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8809&target=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259489&enzyme=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search 131954054 350084183 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDEST 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451984 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@]22N=C(N)N(Cc3ncccn3)C2=O)C#N)C[C@@H]1C InChI=1S/C24H26N6O2/c1-15-11-23(7-6-19(15)32-2)12-17-5-4-16(13-25)10-18(17)24(23)21(31)30(22(26)29-24)14-20-27-8-3-9-28-20/h3-5,8-10,15,19H,6-7,11-12,14H2,1-2H3,(H2,26,29)/t15-,19-,23-,24+/m0/s1 TXIYYIMILCUFDC-VYTCSICCSA-N 150699 US8981112, 6::US9526727, 6::US9949975, Example 6 Beta-secretase 1 [1-454] 11 4.4 US Patent 10.7270/Q2K936GW aid1803656 US9526727 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceutical, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150699 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8809&target=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150699&enzyme=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search 89879583 252824950 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDEST 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451985 COCCN1C(N)=N[C@@]2(C1=O)c1cc(ccc1C[C@@]21CC[C@H](OC)[C@@H](C)C1)C#N InChI=1S/C22H28N4O3/c1-14-11-21(7-6-18(14)29-3)12-16-5-4-15(13-23)10-17(16)22(21)19(27)26(8-9-28-2)20(24)25-22/h4-5,10,14,18H,6-9,11-12H2,1-3H3,(H2,24,25)/t14-,18-,21-,22+/m0/s1 OVRSLXJBYXZOSU-RIVOMEERSA-N 150700 US8981112, 7::US9526727, 7::US9949975, Example 7 Beta-secretase 1 [1-454] 2 4.4 US Patent 10.7270/Q2K936GW aid1803656 US9526727 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceutical, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150700 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8809&target=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150700&enzyme=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search 89879582 252824951 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDEST 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451986 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC3(C)COC3)C2=O)C#N)C[C@@H]1C InChI=1S/C24H30N4O3/c1-15-9-23(7-6-19(15)30-3)10-17-5-4-16(11-25)8-18(17)24(23)20(29)28(21(26)27-24)12-22(2)13-31-14-22/h4-5,8,15,19H,6-7,9-10,12-14H2,1-3H3,(H2,26,27)/t15-,19-,23-,24+/m0/s1 QXXFWNTWBZPZPY-VYTCSICCSA-N 150701 US8981112, 8::US9526727, 8::US9949975, Example 8 Beta-secretase 1 [1-454] 5 4.4 US Patent 10.7270/Q2K936GW aid1803656 US9526727 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceutical, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150701 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8809&target=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150701&enzyme=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search 89879587 252824952 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDEST 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451987 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@]22N=C(N)N(Cc3ccncn3)C2=O)C#N)C[C@@H]1C InChI=1S/C24H26N6O2/c1-15-10-23(7-5-20(15)32-2)11-17-4-3-16(12-25)9-19(17)24(23)21(31)30(22(26)29-24)13-18-6-8-27-14-28-18/h3-4,6,8-9,14-15,20H,5,7,10-11,13H2,1-2H3,(H2,26,29)/t15-,20-,23-,24+/m0/s1 NAZOMBGGSSUBEQ-SOPLCPCWSA-N 150702 US8981112, 9::US9526727, 9::US9949975, Example 9 Beta-secretase 1 [1-454] 9 4.4 US Patent 10.7270/Q2K936GW aid1803656 US9526727 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceutical, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150702 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8809&target=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150702&enzyme=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search 89879593 252824953 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDEST 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451988 CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(Cc3ncc(F)cn3)C2=O)C#N)C[C@H]1C InChI=1S/C25H27FN6O2/c1-14-7-24(8-15(2)21(14)34-3)9-17-5-4-16(10-27)6-19(17)25(24)22(33)32(23(28)31-25)13-20-29-11-18(26)12-30-20/h4-6,11-12,14-15,21H,7-9,13H2,1-3H3,(H2,28,31)/t14-,15+,21+,24+,25-/m1/s1 FGMJWLOJKFMCPL-MJXPOCGOSA-N 150703 US8981112, 10::US9526727, 10::US9949975, Example 10 Beta-secretase 1 [1-454] 9 4.4 US Patent 10.7270/Q2K936GW aid1803656 US9526727 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceutical, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150703 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8809&target=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150703&enzyme=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search 89879629 252824954 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDEST 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451989 CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC3(C)COC3)C2=O)C#N)C[C@H]1C InChI=1S/C25H32N4O3/c1-15-8-24(9-16(2)20(15)31-4)10-18-6-5-17(11-26)7-19(18)25(24)21(30)29(22(27)28-25)12-23(3)13-32-14-23/h5-7,15-16,20H,8-10,12-14H2,1-4H3,(H2,27,28)/t15-,16+,20+,24+,25-/m1/s1 COAXYAPFKPSVLK-QDOHHUBKSA-N 150704 US8981112, 11::US9526727, 11::US9949975, Example 11 Beta-secretase 1 [1-454] 4 4.4 US Patent 10.7270/Q2K936GW aid1803656 US9526727 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceutical, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150704 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8809&target=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150704&enzyme=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search 71727378 252824955 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDEST 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451990 CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(C3COC3)C2=O)C#N)C[C@H]1C InChI=1S/C23H28N4O3/c1-13-7-22(8-14(2)19(13)29-3)9-16-5-4-15(10-24)6-18(16)23(22)20(28)27(21(25)26-23)17-11-30-12-17/h4-6,13-14,17,19H,7-9,11-12H2,1-3H3,(H2,25,26)/t13-,14+,19+,22+,23-/m1/s1 ITJCNBXOVGQPSD-PIXIMPLDSA-N 150705 US8981112, 12::US9526727, 12::US9949975, Example 12 Beta-secretase 1 [1-454] 3 4.4 US Patent 10.7270/Q2K936GW aid1803656 US9526727 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceutical, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150705 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8809&target=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150705&enzyme=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search 71727379 252824956 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDEST 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451991 CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC3COC3)C2=O)C#N)C[C@H]1C InChI=1S/C24H30N4O3/c1-14-7-23(8-15(2)20(14)30-3)9-18-5-4-16(10-25)6-19(18)24(23)21(29)28(22(26)27-24)11-17-12-31-13-17/h4-6,14-15,17,20H,7-9,11-13H2,1-3H3,(H2,26,27)/t14-,15+,20+,23+,24-/m1/s1 OHZNLQUPCCOTBQ-MAONGBLGSA-N 150706 US8981112, 13::US9526727, 13::US9949975, Example 13 Beta-secretase 1 [1-454] 9 4.4 US Patent 10.7270/Q2K936GW aid1803656 US9526727 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceutical, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150706 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8809&target=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150706&enzyme=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search 71727380 252824957 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDEST 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451992 CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(C[C@H]3CCCO3)C2=O)C#N)C[C@H]1C InChI=1S/C25H32N4O3/c1-15-10-24(11-16(2)21(15)31-3)12-18-7-6-17(13-26)9-20(18)25(24)22(30)29(23(27)28-25)14-19-5-4-8-32-19/h6-7,9,15-16,19,21H,4-5,8,10-12,14H2,1-3H3,(H2,27,28)/t15-,16+,19-,21+,24+,25-/m1/s1 RRWJBJFMOGIAEN-HVVJEGBZSA-N 150707 US8981112, 14::US9526727, 14::US9949975, Example 14 Beta-secretase 1 [1-454] 5 4.4 US Patent 10.7270/Q2K936GW aid1803656 US9526727 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceutical, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150707 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8809&target=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150707&enzyme=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search 71727381 252824958 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDEST 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451993 CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(C[C@@H]3CCCO3)C2=O)C#N)C[C@H]1C InChI=1S/C25H32N4O3/c1-15-10-24(11-16(2)21(15)31-3)12-18-7-6-17(13-26)9-20(18)25(24)22(30)29(23(27)28-25)14-19-5-4-8-32-19/h6-7,9,15-16,19,21H,4-5,8,10-12,14H2,1-3H3,(H2,27,28)/t15-,16+,19-,21+,24+,25+/m0/s1 RRWJBJFMOGIAEN-OIIFEQBSSA-N 150708 US8981112, 15::US9526727, 15::US9949975, Example 15 Beta-secretase 1 [1-454] 11 4.4 US Patent 10.7270/Q2K936GW aid1803656 US9526727 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceutical, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150708 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8809&target=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150708&enzyme=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search 71727479 252824959 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDEST 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451994 CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC3CCOCC3)C2=O)C#N)C[C@H]1C InChI=1S/C26H34N4O3/c1-16-11-25(12-17(2)22(16)32-3)13-20-5-4-19(14-27)10-21(20)26(25)23(31)30(24(28)29-26)15-18-6-8-33-9-7-18/h4-5,10,16-18,22H,6-9,11-13,15H2,1-3H3,(H2,28,29)/t16-,17+,22+,25+,26-/m1/s1 RZZSRVAOSSMTRH-WKOBYHNDSA-N 150709 US8981112, 16::US9526727, 16::US9949975, Example 16 Beta-secretase 1 [1-454] 11 4.4 US Patent 10.7270/Q2K936GW aid1803656 US9526727 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceutical, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150709 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8809&target=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150709&enzyme=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search 71727480 252824960 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDEST 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451995 CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC(C)(C)F)C2=O)C#N)C[C@H]1C InChI=1S/C24H31FN4O2/c1-14-9-23(10-15(2)19(14)31-5)11-17-7-6-16(12-26)8-18(17)24(23)20(30)29(21(27)28-24)13-22(3,4)25/h6-8,14-15,19H,9-11,13H2,1-5H3,(H2,27,28)/t14-,15+,19+,23+,24-/m1/s1 HCGUDALTEALZLY-QSVRWKSBSA-N 150710 US8981112, 17::US9526727, 17::US9949975, Example 17 Beta-secretase 1 [1-454] 14 4.4 US Patent 10.7270/Q2K936GW aid1803656 US9526727 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceutical, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150710 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8809&target=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150710&enzyme=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search 71727481 252824961 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDEST 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451996 CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(C[C@@H]3CCO3)C2=O)C#N)C[C@H]1C InChI=1S/C24H30N4O3/c1-14-9-23(10-15(2)20(14)30-3)11-17-5-4-16(12-25)8-19(17)24(23)21(29)28(22(26)27-24)13-18-6-7-31-18/h4-5,8,14-15,18,20H,6-7,9-11,13H2,1-3H3,(H2,26,27)/t14-,15+,18-,20+,23+,24+/m0/s1 LJFKSSWZKKREPW-RKSTXIPJSA-N 150711 US8981112, 18::US9526727, 18::US9949975, Example 18 Beta-secretase 1 [1-454] 9 4.4 US Patent 10.7270/Q2K936GW aid1803656 US9526727 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceutical, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150711 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8809&target=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150711&enzyme=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search 71727482 252824962 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDEST 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451997 CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(CCC3COC3)C2=O)C#N)C[C@H]1C InChI=1S/C25H32N4O3/c1-15-9-24(10-16(2)21(15)31-3)11-19-5-4-17(12-26)8-20(19)25(24)22(30)29(23(27)28-25)7-6-18-13-32-14-18/h4-5,8,15-16,18,21H,6-7,9-11,13-14H2,1-3H3,(H2,27,28)/t15-,16+,21+,24+,25-/m1/s1 XKBCAKDBQRZNQK-XJZPSQEMSA-N 150712 US8981112, 19::US9526727, 19::US9949975, Example 19 Beta-secretase 1 [1-454] 6 4.4 US Patent 10.7270/Q2K936GW aid1803656 US9526727 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceutical, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150712 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8809&target=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150712&enzyme=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search 71727483 252824963 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDEST 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451998 CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(C[C@@H]3COCCO3)C2=O)C#N)C[C@H]1C InChI=1S/C25H32N4O4/c1-15-9-24(10-16(2)21(15)31-3)11-18-5-4-17(12-26)8-20(18)25(24)22(30)29(23(27)28-25)13-19-14-32-6-7-33-19/h4-5,8,15-16,19,21H,6-7,9-11,13-14H2,1-3H3,(H2,27,28)/t15-,16+,19-,21+,24+,25-/m1/s1 CYSJYHKFWGTAAK-HVVJEGBZSA-N 150714 US8981112, 21::US9526727, 21::US9949975, Example 21 Beta-secretase 1 [1-454] 5 4.4 US Patent 10.7270/Q2K936GW aid1803656 US9526727 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceutical, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150714 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8809&target=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150714&enzyme=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search 71727590 252824965 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDEST 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451999 CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(C[C@H]3COCCO3)C2=O)C#N)C[C@H]1C InChI=1S/C25H32N4O4/c1-15-9-24(10-16(2)21(15)31-3)11-18-5-4-17(12-26)8-20(18)25(24)22(30)29(23(27)28-25)13-19-14-32-6-7-33-19/h4-5,8,15-16,19,21H,6-7,9-11,13-14H2,1-3H3,(H2,27,28)/t15-,16+,19-,21+,24+,25+/m0/s1 CYSJYHKFWGTAAK-OIIFEQBSSA-N 150715 US8981112, 22::US9526727, 22::US9949975, Example 22 Beta-secretase 1 [1-454] 8 4.4 US Patent 10.7270/Q2K936GW aid1803656 US9526727 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceutical, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150715 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8809&target=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150715&enzyme=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search 71727589 252824966 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDEST 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 452000 CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC3(F)CCOCC3)C2=O)C#N)C[C@H]1C InChI=1S/C26H33FN4O3/c1-16-11-24(12-17(2)21(16)33-3)13-19-5-4-18(14-28)10-20(19)26(24)22(32)31(23(29)30-26)15-25(27)6-8-34-9-7-25/h4-5,10,16-17,21H,6-9,11-13,15H2,1-3H3,(H2,29,30)/t16-,17+,21+,24+,26-/m1/s1 XPTJAOBXRHUNIM-PGRKHRFDSA-N 150716 US8981112, 23::US9526727, 23::US9949975, Example 23 Beta-secretase 1 [1-454] 12 4.4 US Patent 10.7270/Q2K936GW aid1803656 US9526727 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceutical, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150716 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8809&target=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150716&enzyme=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search 71727591 252824967 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDEST 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 452001 CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(Cc3ccncn3)C2=O)C#N)C[C@H]1C InChI=1S/C25H28N6O2/c1-15-9-24(10-16(2)21(15)33-3)11-18-5-4-17(12-26)8-20(18)25(24)22(32)31(23(27)30-25)13-19-6-7-28-14-29-19/h4-8,14-16,21H,9-11,13H2,1-3H3,(H2,27,30)/t15-,16+,21+,24+,25-/m1/s1 LTLVFITWDXOWJL-XJZPSQEMSA-N 150717 US8981112, 24::US9526727, 24::US9949975, Example 24 Beta-secretase 1 [1-454] 5 4.4 US Patent 10.7270/Q2K936GW aid1803656 US9526727 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceutical, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150717 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8809&target=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150717&enzyme=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search 71727592 252824968 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDEST 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 452002 CC[C@@H]1C[C@@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC(C)(C)F)C2=O)C#N)C[C@H](C)[C@H]1OC InChI=1S/C25H33FN4O2/c1-6-17-11-24(10-15(2)20(17)32-5)12-18-8-7-16(13-27)9-19(18)25(24)21(31)30(22(28)29-25)14-23(3,4)26/h7-9,15,17,20H,6,10-12,14H2,1-5H3,(H2,28,29)/t15-,17+,20+,24+,25+/m0/s1 XXMUGULHTPQVQB-SWWUJTLOSA-N 150719 US8981112, 26::US9526727, 26::US9949975, Example 26 Beta-secretase 1 [1-454] 9 4.4 US Patent 10.7270/Q2K936GW aid1803656 US9526727 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceutical, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150719 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8809&target=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150719&enzyme=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search 71727700 252824970 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDEST 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 452003 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC3COCCO3)C2=O)C#N)C[C@@H]1C InChI=1S/C24H30N4O4/c1-15-10-23(6-5-20(15)30-2)11-17-4-3-16(12-25)9-19(17)24(23)21(29)28(22(26)27-24)13-18-14-31-7-8-32-18/h3-4,9,15,18,20H,5-8,10-11,13-14H2,1-2H3,(H2,26,27)/t15-,18?,20-,23-,24+/m0/s1 WOUFNQIOIHETNJ-GAGWAJJTSA-N 150720 US8981112, 27::US9526727, 27::US9949975, Example 27 Beta-secretase 1 [1-454] 6 4.4 US Patent 10.7270/Q2K936GW aid1803656 US9526727 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceutical, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150720 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8809&target=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150720&enzyme=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search 71727701 252824971 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDEST 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 452004 CO[C@H]1CCC2(Cc3ccc(cc3C22N=C(N)N(CC3CCCO3)C2=O)C#N)CC1 InChI=1S/C23H28N4O3/c1-29-17-6-8-22(9-7-17)12-16-5-4-15(13-24)11-19(16)23(22)20(28)27(21(25)26-23)14-18-3-2-10-30-18/h4-5,11,17-18H,2-3,6-10,12,14H2,1H3,(H2,25,26)/t17-,18?,22?,23? UPHWMYMEWKSHEJ-WKJJIOGWSA-N 259485 US9526727, Comparison Example Table 2, 2''-amino-4-methoxy-5''-oxo-1''-(oxolan-2-ylmethyl)-1'',5''-dihydro-3'H-dispiro[cyclohexane-1,2'-indene-1',4''-imidazole]-6'-carbonitrile Beta-secretase 1 [1-454] 35 4.4 US Patent 10.7270/Q2K936GW aid1803656 US9526727 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceutical, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259485 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8809&target=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259485&enzyme=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search 68391757 350084179 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDEST 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 452006 COCCN1C(N)=NC2(C1=O)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC)C#N InChI=1S/C21H26N4O3/c1-27-10-9-25-18(26)21(24-19(25)23)17-11-14(13-22)3-4-15(17)12-20(21)7-5-16(28-2)6-8-20/h3-4,11,16H,5-10,12H2,1-2H3,(H2,23,24)/t16-,20-,21? PRVRWJQEGRRDAF-KTSKVTQQSA-N 259486 US9526727, Comparison Example Table 2, (1r,4r)-2''-amino-4-methoxy-1''-(2-methoxyethyl)-5''-oxo-1'',5''-dihydro-3'H-dispiro[cyclohexane-1,2'-indene-1',4''-imidazole]-6'-carbonitrile Beta-secretase 1 [1-454] 49 4.4 US Patent 10.7270/Q2K936GW aid1803656 US9526727 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceutical, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259486 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8809&target=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259486&enzyme=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search 58197968 350084180 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDEST 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 452007 COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C(C)C)C2=O)C#N)CC1 InChI=1S/C21H26N4O2/c1-13(2)25-18(26)21(24-19(25)23)17-10-14(12-22)4-5-15(17)11-20(21)8-6-16(27-3)7-9-20/h4-5,10,13,16H,6-9,11H2,1-3H3,(H2,23,24) HXYCKOWFLDTBJS-UHFFFAOYSA-N 195494 US9212153, 158,Ex. 121::US9526727, Comparison Example Table 2, 2''-amino-4-methoxy-5''-oxo-1''-(propan-2-yl)-1'',5''-dihydro-3'H-dispiro[cyclohexane-1,2'-indene-1',4''-imidazole]-6'-carbonitrile Beta-secretase 1 [1-454] 107 4.4 US Patent 10.7270/Q2K936GW aid1803656 US9526727 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceutical, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195494 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8809&target=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195494&enzyme=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search 70219292 318151137 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDEST 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 452008 CO[C@H]1CC[C@@]2(Cc3ccc(CCC4CC4)cc3[C@]22N=C(N)N(C[C@@H]3CCO3)C2=O)CC1 InChI=1S/C26H35N3O3/c1-31-20-8-11-25(12-9-20)15-19-7-6-18(5-4-17-2-3-17)14-22(19)26(25)23(30)29(24(27)28-26)16-21-10-13-32-21/h6-7,14,17,20-21H,2-5,8-13,15-16H2,1H3,(H2,27,28)/t20-,21-,25-,26+/m0/s1 BOGVCEHXIZOGEN-KZHJIPFUSA-N 259487 US9526727, Comparison Example Table 2, (1r,1'R,4R)-2''-amino-6'-(2-cyclopropylethyl)-4-methoxy-1''-[(2S)-oxetan-2-ylmethyl]-1'',5''-dihydro-3'H-dispiro[cyclohexane-1,2'-indene-1',4''-imidazole]-5''-one Beta-secretase 1 [1-454] 415 4.4 US Patent 10.7270/Q2K936GW aid1803656 US9526727 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceutical, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259487 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8809&target=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259487&enzyme=Beta-secretase+1+%5B1-454%5D&column=ki&startPg=0&Increment=50&submit=Search 58197558 350084181 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDEST 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1