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 234904 COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2ccc(F)c(c2)C#N)CC1 InChI=1S/C24H25FN4O2/c1-29-22(27)28-24(31-29)20-12-16(15-5-6-21(25)18(11-15)14-26)3-4-17(20)13-23(24)9-7-19(30-2)8-10-23/h3-6,11-12,19H,7-10,13H2,1-2H3,(H2,27,28) OVVSVXIIIOKEED-UHFFFAOYSA-N 113234 US8633212, 12 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 7.9 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113234 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113234&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197212 199994950 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234905 COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2ccc(F)c(Cl)c2)CC1 InChI=1S/C23H25ClFN3O2/c1-28-21(26)27-23(30-28)18-11-14(15-5-6-20(25)19(24)12-15)3-4-16(18)13-22(23)9-7-17(29-2)8-10-22/h3-6,11-12,17H,7-10,13H2,1-2H3,(H2,26,27) OVNPMAGYRQDZCZ-UHFFFAOYSA-N 113235 US8633212, 13 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 8.8 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113235 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113235&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197656 199994951 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234906 COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cc(F)cc(Cl)c2)CC1 InChI=1S/C24H25ClFN3O2/c1-29-21(30)24(28-22(29)27)20-11-14(16-9-17(25)12-18(26)10-16)3-4-15(20)13-23(24)7-5-19(31-2)6-8-23/h3-4,9-12,19H,5-8,13H2,1-2H3,(H2,27,28) DZNCTCZTABODEP-UHFFFAOYSA-N 113236 US10336717, Compound 14::US8633212, 14 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 11.1 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113236 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113236&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197187 199994952 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234907 CN1OC2(N=C1N)c1cc(ccc1CC21CCc2ccccc2CC1)-c1cc(F)cc(Cl)c1 InChI=1S/C27H25ClFN3O/c1-32-25(30)31-27(33-32)24-14-19(21-12-22(28)15-23(29)13-21)6-7-20(24)16-26(27)10-8-17-4-2-3-5-18(17)9-11-26/h2-7,12-15H,8-11,16H2,1H3,(H2,30,31) BOQSEBCICDMPCZ-UHFFFAOYSA-N 113237 US10336717, Compound 15::US8633212, 15::US9212153, 15 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 11.2 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113237 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113237&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197101 199994953 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234908 COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cc(Cl)cc(OC)c2)CC1 InChI=1S/C25H28ClN3O3/c1-29-22(30)25(28-23(29)27)21-12-15(17-10-18(26)13-20(11-17)32-3)4-5-16(21)14-24(25)8-6-19(31-2)7-9-24/h4-5,10-13,19H,6-9,14H2,1-3H3,(H2,27,28) PMSJQUIABBSGQR-UHFFFAOYSA-N 113238 US10336717, Compound 16::US8633212, 16 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 11.5 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113238 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113238&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 46927169 199994954 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234909 CN1OC2(N=C1N)c1cc(ccc1CC21CCc2ccccc2CC1)-c1cccc(Cl)c1 InChI=1S/C27H26ClN3O/c1-31-25(29)30-27(32-31)24-16-21(20-7-4-8-23(28)15-20)9-10-22(24)17-26(27)13-11-18-5-2-3-6-19(18)12-14-26/h2-10,15-16H,11-14,17H2,1H3,(H2,29,30) FTZGJZCAODWJIN-UHFFFAOYSA-N 113239 US10336717, Compound 17::US8633212, 17::US9212153, 17 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 12.1 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113239 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113239&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 46927170 199994955 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234910 COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cccnc2)CC1 InChI=1S/C22H26N4O2/c1-26-20(23)25-22(28-26)19-12-15(17-4-3-11-24-14-17)5-6-16(19)13-21(22)9-7-18(27-2)8-10-21/h3-6,11-12,14,18H,7-10,13H2,1-2H3,(H2,23,25) KRSRADYOCUBYFY-UHFFFAOYSA-N 113240 US10336717, Compound 18::US8633212, 18::US9212153, 18 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 16.8 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113240 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113240&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197336 199994956 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234911 COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cc(C)cc(C)c2)CC1 InChI=1S/C25H31N3O2/c1-16-11-17(2)13-20(12-16)18-5-6-19-15-24(9-7-21(29-4)8-10-24)25(22(19)14-18)27-23(26)28(3)30-25/h5-6,11-14,21H,7-10,15H2,1-4H3,(H2,26,27) FYALOILYRKEBCX-UHFFFAOYSA-N 113241 US8633212, 19 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 14.6 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113241 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113241&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197215 199994957 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234912 COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cccc(c2)C(F)(F)F)CC1 InChI=1S/C24H26F3N3O2/c1-30-21(28)29-23(32-30)20-13-16(15-4-3-5-18(12-15)24(25,26)27)6-7-17(20)14-22(23)10-8-19(31-2)9-11-22/h3-7,12-13,19H,8-11,14H2,1-2H3,(H2,28,29) SKTFCNUADRUXNU-UHFFFAOYSA-N 113242 US8633212, 20 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 18.7 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113242 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113242&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197604 199994958 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234913 CN1OC2(N=C1N)c1cc(ccc1CC21CCc2ccccc2CC1)-c1cc(Cl)cc(Cl)c1 InChI=1S/C27H25Cl2N3O/c1-32-25(30)31-27(33-32)24-14-19(21-12-22(28)15-23(29)13-21)6-7-20(24)16-26(27)10-8-17-4-2-3-5-18(17)9-11-26/h2-7,12-15H,8-11,16H2,1H3,(H2,30,31) LNMMMYCCXOOMDX-UHFFFAOYSA-N 113243 US10336717, Compound 21::US8633212, 21::US9212153, 21 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 18.9 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113243 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113243&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197994 199994959 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234914 CN1OC2(N=C1N)c1cc(ccc1CC21CCc2ccccc2CC1)-c1cccc(c1)C#N InChI=1S/C28H26N4O/c1-32-26(30)31-28(33-32)25-16-23(22-8-4-5-19(15-22)18-29)9-10-24(25)17-27(28)13-11-20-6-2-3-7-21(20)12-14-27/h2-10,15-16H,11-14,17H2,1H3,(H2,30,31) VSAVTZPKBOTXML-UHFFFAOYSA-N 113244 US10336717, Compound 22::US8633212, 22::US9212153, 22 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 19.3 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113244 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113244&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197460 199994960 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234915 CN1OC2(N=C1N)c1cc(ccc1CC21CCc2ccccc2CC1)-c1ccc(F)c(Cl)c1 InChI=1S/C27H25ClFN3O/c1-32-25(30)31-27(33-32)22-14-19(20-8-9-24(29)23(28)15-20)6-7-21(22)16-26(27)12-10-17-4-2-3-5-18(17)11-13-26/h2-9,14-15H,10-13,16H2,1H3,(H2,30,31) DFNWBENAXJQAMD-UHFFFAOYSA-N 113245 US10336717, Compound 23::US8633212, 23::US9212153, 23 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 20.7 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113245 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113245&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58198251 199994961 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234916 CCOC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)C#CC2CC2)CC1 InChI=1S/C23H29N3O2/c1-3-27-19-10-12-22(13-11-19)15-18-9-8-17(7-6-16-4-5-16)14-20(18)23(22)25-21(24)26(2)28-23/h8-9,14,16,19H,3-5,10-13,15H2,1-2H3,(H2,24,25) URORQPMTQDJIPF-UHFFFAOYSA-N 113246 US10336717, Compound 24::US8633212, 24::US9212153, 24 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 21 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113246 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113246&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 46927171 199994962 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234917 COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cccc(c2)C#N)CC1 InChI=1S/C24H26N4O2/c1-28-22(26)27-24(30-28)21-13-18(17-5-3-4-16(12-17)15-25)6-7-19(21)14-23(24)10-8-20(29-2)9-11-23/h3-7,12-13,20H,8-11,14H2,1-2H3,(H2,26,27) MYHADYIDHTWANE-UHFFFAOYSA-N 113247 US8633212, 25 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 26.2 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113247 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113247&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58198006 199994963 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234918 COc1cc(Cl)cc(c1)-c1ccc2CC3(CCc4ccccc4CC3)C3(ON(C)C(N)=N3)c2c1 InChI=1S/C28H28ClN3O2/c1-32-26(30)31-28(34-32)25-15-20(22-13-23(29)16-24(14-22)33-2)7-8-21(25)17-27(28)11-9-18-5-3-4-6-19(18)10-12-27/h3-8,13-16H,9-12,17H2,1-2H3,(H2,30,31) SAFZOGOCRZPGNW-UHFFFAOYSA-N 113249 US10336717, Compound 27::US8633212, 27::US9212153, 27 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 38.3 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113249 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113249&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58198128 199994965 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234919 CCO[C@H]1CC[C@@]2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cccc(c2)C#N)CC1 InChI=1S/C25H28N4O2/c1-3-30-21-9-11-24(12-10-21)15-20-8-7-19(18-6-4-5-17(13-18)16-26)14-22(20)25(24)28-23(27)29(2)31-25/h4-8,13-14,21H,3,9-12,15H2,1-2H3,(H2,27,28)/t21-,24-,25? JHQHHCUZYLLSKH-TYRCWPPYSA-N 113250 US10336717, Compound 28::US8633212, 28::US9212153, 28 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 41.7 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113250 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113250&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197987 199994966 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234920 CN1C(N)=NC2(C1=O)c1cc(ccc1CC21CCc2ccccc2CC1)-c1cccc(c1)C#N InChI=1S/C29H26N4O/c1-33-26(34)29(32-27(33)31)25-16-23(22-8-4-5-19(15-22)18-30)9-10-24(25)17-28(29)13-11-20-6-2-3-7-21(20)12-14-28/h2-10,15-16H,11-14,17H2,1H3,(H2,31,32) QKBGVPVPQUKGNV-UHFFFAOYSA-N 113251 US10336717, Compound 29::US8633212, 29::US9212153, 29 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 5.3 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113251 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113251&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58198293 199994967 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234921 CN1OC2(N=C1N)c1cc(Cl)ccc1CC21CCc2ccccc2CC1 InChI=1S/C21H22ClN3O/c1-25-19(23)24-21(26-25)18-12-17(22)7-6-16(18)13-20(21)10-8-14-4-2-3-5-15(14)9-11-20/h2-7,12H,8-11,13H2,1H3,(H2,23,24) QUQKATHRDQFVIH-UHFFFAOYSA-N 113252 US10336717, Compound 30::US8633212, 30::US9212153, 30 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 61.6 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113252 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113252&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197890 199994968 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234922 CN1OC2(N=C1N)c1cc(Br)ccc1CC21CCc2ccccc2CC1 InChI=1S/C21H22BrN3O/c1-25-19(23)24-21(26-25)18-12-17(22)7-6-16(18)13-20(21)10-8-14-4-2-3-5-15(14)9-11-20/h2-7,12H,8-11,13H2,1H3,(H2,23,24) RZSSUBGVLTWUMX-UHFFFAOYSA-N 113253 US10336717, Compound 122::US8633212, 31::US9212153, 67 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 64 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113253 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113253&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197054 199994969 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234923 COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cc(F)ccc2C)CC1 InChI=1S/C24H28FN3O2/c1-15-4-7-18(25)13-20(15)16-5-6-17-14-23(10-8-19(29-3)9-11-23)24(21(17)12-16)27-22(26)28(2)30-24/h4-7,12-13,19H,8-11,14H2,1-3H3,(H2,26,27) HMIWEFCAUJPAMA-UHFFFAOYSA-N 113254 US8633212, 32 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 74.1 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113254 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113254&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197019 199994970 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234924 CN1OC2(N=C1N)c1cc(ccc1CC21CCc2cc(F)c(F)cc2C1)-c1cccc(c1)C#N InChI=1S/C27H22F2N4O/c1-33-25(31)32-27(34-33)22-10-18(17-4-2-3-16(9-17)15-30)5-6-20(22)13-26(27)8-7-19-11-23(28)24(29)12-21(19)14-26/h2-6,9-12H,7-8,13-14H2,1H3,(H2,31,32) NJVVZQHCISHVOM-UHFFFAOYSA-N 113255 US10336717, Compound 33::US8633212, 33::US9212153, 33 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 89 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113255 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113255&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197266 199994971 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234925 CN1OC2(N=C1N)c1cc(ccc1CC21CCC(F)=CC1)-c1cccc(c1)C#N InChI=1S/C23H21FN4O/c1-28-21(26)27-23(29-28)20-12-17(16-4-2-3-15(11-16)14-25)5-6-18(20)13-22(23)9-7-19(24)8-10-22/h2-7,11-12H,8-10,13H2,1H3,(H2,26,27) WVVYNJBCBCAOBE-UHFFFAOYSA-N 113256 US10336717, Compound 34::US8633212, 34::US9212153, 34 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 93.3 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113256 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113256&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197693 199994972 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234926 CN1OC2(N=C1N)c1ccccc1CC21CCc2ccccc2CC1 InChI=1S/C21H23N3O/c1-24-19(22)23-21(25-24)18-9-5-4-8-17(18)14-20(21)12-10-15-6-2-3-7-16(15)11-13-20/h2-9H,10-14H2,1H3,(H2,22,23) NCWJNDINNMXSAF-UHFFFAOYSA-N 113257 US10336717, Compound 35::US8633212, 35::US9212153, 35 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 104.6 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113257 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113257&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197115 199994973 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234927 CN1OC2(N=C1N)c1cc(ccc1CC21CCOc2ccccc2C1)-c1cccc(c1)C#N InChI=1S/C27H24N4O2/c1-31-25(29)30-27(33-31)23-14-20(19-7-4-5-18(13-19)17-28)9-10-21(23)15-26(27)11-12-32-24-8-3-2-6-22(24)16-26/h2-10,13-14H,11-12,15-16H2,1H3,(H2,29,30) NNHCQEPHZJRECK-UHFFFAOYSA-N 113258 US10336717, Compound 36::US8633212, 36::US9212153, 36 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 121.7 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113258 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113258&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58198284 199994974 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234928 COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2ccc3cc[nH]c3c2)CC1 InChI=1S/C25H28N4O2/c1-29-23(26)28-25(31-29)21-13-17(18-4-3-16-9-12-27-22(16)14-18)5-6-19(21)15-24(25)10-7-20(30-2)8-11-24/h3-6,9,12-14,20,27H,7-8,10-11,15H2,1-2H3,(H2,26,28) MSKXYFUUPNXUFI-UHFFFAOYSA-N 113259 US10336717, Compound 37::US8633212, 37::US9212153, 37 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 125.6 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113259 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113259&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 46927250 199994975 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234929 CN1OC2(N=C1N)c1cc(ccc1CC21CCc2ccccc2CC1)-c1cccc(OC(F)(F)F)c1 InChI=1S/C28H26F3N3O2/c1-34-25(32)33-27(36-34)24-16-21(20-7-4-8-23(15-20)35-28(29,30)31)9-10-22(24)17-26(27)13-11-18-5-2-3-6-19(18)12-14-26/h2-10,15-16H,11-14,17H2,1H3,(H2,32,33) SEJLBMNPGJWZKM-UHFFFAOYSA-N 113260 US10336717, Compound 38::US8633212, 38::US9212153, 38 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 130.4 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113260 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113260&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197029 199994976 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234930 CN1OC2(N=C1N)c1cc(ccc1CC21CCc2ccccc2CC1)-c1cccc(c1)C(F)(F)F InChI=1S/C28H26F3N3O/c1-34-25(32)33-27(35-34)24-16-21(20-7-4-8-23(15-20)28(29,30)31)9-10-22(24)17-26(27)13-11-18-5-2-3-6-19(18)12-14-26/h2-10,15-16H,11-14,17H2,1H3,(H2,32,33) JOGOSFOJKKSAFL-UHFFFAOYSA-N 113261 US10336717, Compound 39::US8633212, 39::US9212153, 39 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 157.6 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113261 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113261&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197866 199994977 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234931 CN1OC2(N=C1N)c1cc(ccc1CC21Cc2ccccc2C1)-c1cccc(c1)C#N InChI=1S/C26H22N4O/c1-30-24(28)29-26(31-30)23-12-19(18-8-4-5-17(11-18)16-27)9-10-22(23)15-25(26)13-20-6-2-3-7-21(20)14-25/h2-12H,13-15H2,1H3,(H2,28,29) TWSDZWSGUIOPLA-UHFFFAOYSA-N 113262 US10336717, Compound 40::US8633212, 40::US9212153, 40 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 159.6 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113262 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113262&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197787 199994978 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234932 CN1OC2(N=C1N)c1cc(ccc1CC21CCC(C)=C(C)C1)-c1cccc(c1)C#N InChI=1S/C25H26N4O/c1-16-9-10-24(13-17(16)2)14-21-8-7-20(19-6-4-5-18(11-19)15-26)12-22(21)25(24)28-23(27)29(3)30-25/h4-8,11-12H,9-10,13-14H2,1-3H3,(H2,27,28) RWBHYLPBKVJGEQ-UHFFFAOYSA-N 113263 US10336717, Compound 41::US8633212, 41::US9212153, 41 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 161.1 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113263 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113263&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197560 199994979 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234933 COC1CCC2(Cc3ccc(cc3C22CC(=O)N(C)C(N)=N2)-c2cc(F)cc(Cl)c2)CC1 InChI=1S/C25H27ClFN3O2/c1-30-22(31)14-25(29-23(30)28)21-11-15(17-9-18(26)12-19(27)10-17)3-4-16(21)13-24(25)7-5-20(32-2)6-8-24/h3-4,9-12,20H,5-8,13-14H2,1-2H3,(H2,28,29) WQOVFIOFMYBYHK-UHFFFAOYSA-N 113264 US10336717, Compound 42::US8633212, 42::US9212153, 42 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 172.7 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113264 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113264&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197639 199994980 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234934 CN1OC2(N=C1N)c1cc(ccc1CC21CCc2cc(F)ccc2C1)-c1cccc(c1)C#N InChI=1S/C27H23FN4O/c1-32-25(30)31-27(33-32)24-13-19(18-4-2-3-17(11-18)16-29)5-6-22(24)15-26(27)10-9-20-12-23(28)8-7-21(20)14-26/h2-8,11-13H,9-10,14-15H2,1H3,(H2,30,31) OBVWPDZIMHUUSX-UHFFFAOYSA-N 113265 US10336717, Compound 43::US8633212, 43::US9212153, 43 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 178.4 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113265 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113265&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197145 199994981 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234935 CN1OC2(N=C1N)c1cc(ccc1CC21CCC(F)(F)CC1)-c1cccc(c1)C#N InChI=1S/C23H22F2N4O/c1-29-20(27)28-23(30-29)19-12-17(16-4-2-3-15(11-16)14-26)5-6-18(19)13-21(23)7-9-22(24,25)10-8-21/h2-6,11-12H,7-10,13H2,1H3,(H2,27,28) NSPCVZWNYCBBFE-UHFFFAOYSA-N 113266 US10336717, Compound 44::US8633212, 44::US9212153, 44 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 189.1 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113266 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113266&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197821 199994982 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234936 CN1OC2(N=C1N)c1cc(ccc1CC21CCc2ccccc2C1)-c1cccc(c1)C#N InChI=1S/C27H24N4O/c1-31-25(29)30-27(32-31)24-14-21(20-8-4-5-18(13-20)17-28)9-10-23(24)16-26(27)12-11-19-6-2-3-7-22(19)15-26/h2-10,13-14H,11-12,15-16H2,1H3,(H2,29,30) MSYXYCKNYXJRHO-UHFFFAOYSA-N 113267 US10336717, Compound 45::US8633212, 45 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 194.7 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113267 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113267&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 46927093 199994983 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234937 CN1OC2(N=C1N)c1cc(ccc1CC21CCCc2ccccc2C1)-c1cccc(c1)C#N InChI=1S/C28H26N4O/c1-32-26(30)31-28(33-32)25-15-22(21-9-4-6-19(14-21)18-29)11-12-24(25)17-27(28)13-5-10-20-7-2-3-8-23(20)16-27/h2-4,6-9,11-12,14-15H,5,10,13,16-17H2,1H3,(H2,30,31) FMKJWXIQQLHLGL-UHFFFAOYSA-N 113268 US10336717, Compound 46::US8633212, 46 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 292.9 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113268 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113268&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58198004 199994984 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234938 CN1OC2(N=C1N)c1cc(ccc1CC21CC(C=C1)c1ccccc1)-c1cccc(c1)C#N InChI=1S/C28H24N4O/c1-32-26(30)31-28(33-32)25-15-22(21-9-5-6-19(14-21)18-29)10-11-24(25)17-27(28)13-12-23(16-27)20-7-3-2-4-8-20/h2-15,23H,16-17H2,1H3,(H2,30,31) JOPWYSAFJDSBLE-UHFFFAOYSA-N 113269 US10336717, Compound 53::US8633212, 47::US8633212, 53::US9212153, 53 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 295.2 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113269 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113269&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197613 199994985 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234939 CN1OC2(N=C1N)c1cc(ccc1CC21CCc2c(C1)ccc(F)c2F)-c1cccc(c1)C#N InChI=1S/C27H22F2N4O/c1-33-25(31)32-27(34-33)22-12-18(17-4-2-3-16(11-17)15-30)5-6-20(22)14-26(27)10-9-21-19(13-26)7-8-23(28)24(21)29/h2-8,11-12H,9-10,13-14H2,1H3,(H2,31,32) KQDPKNUNVTZZFR-UHFFFAOYSA-N 113270 US10336717, Compound 48::US8633212, 48::US9212153, 48 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 378.3 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113270 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113270&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58198285 199994986 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234940 CCOC1CCC2(Cc3ccc(cc3C22CC(=N)N(C)O2)-c2cccc(c2)[N+]#[C-])CC1 InChI=1S/C26H29N3O2/c1-4-30-22-10-12-25(13-11-22)16-20-9-8-19(18-6-5-7-21(14-18)28-2)15-23(20)26(25)17-24(27)29(3)31-26/h5-9,14-15,22,27H,4,10-13,16-17H2,1,3H3 HKUHEGLCGUKBEA-UHFFFAOYSA-N 113271 US8633212, 49 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 41.7 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113271 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113271&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 91663979 199994987 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234941 CN1OC2(N=C1N)c1cc(ccc1CC21CCCC1)-c1cccc(c1)C#N InChI=1S/C22H22N4O/c1-26-20(24)25-22(27-26)19-12-17(16-6-4-5-15(11-16)14-23)7-8-18(19)13-21(22)9-2-3-10-21/h4-8,11-12H,2-3,9-10,13H2,1H3,(H2,24,25) GEDCABMRPNCGFN-UHFFFAOYSA-N 113272 US10336717, Compound 50::US8633212, 50::US9212153, 50 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 443.2 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113272 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113272&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197268 199994988 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234942 CN1OC2(N=C1N)c1cc(ccc1CC21CCOCC1)-c1cccc(c1)C#N InChI=1S/C22H22N4O2/c1-26-20(24)25-22(28-26)19-12-17(16-4-2-3-15(11-16)14-23)5-6-18(19)13-21(22)7-9-27-10-8-21/h2-6,11-12H,7-10,13H2,1H3,(H2,24,25) GHBGKKVPFJLMRC-UHFFFAOYSA-N 113273 US10336717, Compound 51::US8633212, 51::US9212153, 51 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 465.8 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113273 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113273&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 46927167 199994989 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234943 COC1CCC2(CC1)CCc1ccc(cc1C21ON(C)C(N)=N1)-c1cccc(c1)C#N InChI=1S/C25H28N4O2/c1-29-23(27)28-25(31-29)22-15-20(19-5-3-4-17(14-19)16-26)7-6-18(22)8-11-24(25)12-9-21(30-2)10-13-24/h3-7,14-15,21H,8-13H2,1-2H3,(H2,27,28) GKVATHUIORNBEJ-UHFFFAOYSA-N 113274 US10336717, Compound 52::US8633212, 52::US9212153, 52 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 505.8 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113274 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113274&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197925 199994990 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234944 CN1OC2(N=C1N)c1cc(ccc1CC21CC(C=C1)c1ccccc1)-c1cccc(c1)C#N InChI=1S/C28H24N4O/c1-32-26(30)31-28(33-32)25-15-22(21-9-5-6-19(14-21)18-29)10-11-24(25)17-27(28)13-12-23(16-27)20-7-3-2-4-8-20/h2-15,23H,16-17H2,1H3,(H2,30,31) JOPWYSAFJDSBLE-UHFFFAOYSA-N 113269 US10336717, Compound 53::US8633212, 47::US8633212, 53::US9212153, 53 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 514.4 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113269 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113269&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197613 199994985 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234945 CN1OC2(N=C1N)c1cc(ccc1CC21CCc2c(F)cccc2C1)-c1cccc(c1)C#N InChI=1S/C27H23FN4O/c1-32-25(30)31-27(33-32)23-13-19(18-5-2-4-17(12-18)16-29)8-9-21(23)15-26(27)11-10-22-20(14-26)6-3-7-24(22)28/h2-9,12-13H,10-11,14-15H2,1H3,(H2,30,31) CWXKTVRWUFSCCA-UHFFFAOYSA-N 113276 US10336717, Compound 54::US8633212, 54 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 617.9 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113276 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113276&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197978 199994992 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234946 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22CC(=O)N(C)C(N)=N2)C#CC2CC2)CC1 InChI=1S/C24H29N3O2/c1-27-21(28)15-24(26-22(27)25)20-13-17(6-5-16-3-4-16)7-8-18(20)14-23(24)11-9-19(29-2)10-12-23/h7-8,13,16,19H,3-4,9-12,14-15H2,1-2H3,(H2,25,26)/t19-,23-,24? ZZMSMTYJMCOVRM-AHLJTMJASA-N 113277 US10336717, Compound 55::US8633212, 55::US9212153, 55 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 670.4 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113277 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113277&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 46927331 199994993 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234947 CN1C(N)=NC2(C1=O)c1cc(Br)ccc1CC21CCc2ccccc2CC1 InChI=1S/C22H22BrN3O/c1-26-19(27)22(25-20(26)24)18-12-17(23)7-6-16(18)13-21(22)10-8-14-4-2-3-5-15(14)9-11-21/h2-7,12H,8-11,13H2,1H3,(H2,24,25) HJLLROHCPQJCME-UHFFFAOYSA-N 113278 US10336717, Compound 418::US8633212, 56::US9212153, 56 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 204.3 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113278 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113278&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197177 199994994 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234948 CO[C@@H]1CC2(C[C@@H]1OC)Cc1ccc(cc1C21ON(C)C(N)=N1)-c1cccc(c1)C#N InChI=1S/C24H26N4O3/c1-28-22(26)27-24(31-28)19-10-17(16-6-4-5-15(9-16)14-25)7-8-18(19)11-23(24)12-20(29-2)21(13-23)30-3/h4-10,20-21H,11-13H2,1-3H3,(H2,26,27)/t20-,21+,23?,24? WGLDRGVBLRCVPG-MNZGCLKASA-N 113279 US10336717, Compound 62::US8633212, 57::US8633212, 62::US9212153, 62 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 935.52 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113279 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113279&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197021 199994995 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234949 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22CC(=O)N(C)C(N)=N2)-c2cccc(c2)C#N)CC1 InChI=1S/C26H28N4O2/c1-30-23(31)15-26(29-24(30)28)22-13-19(18-5-3-4-17(12-18)16-27)6-7-20(22)14-25(26)10-8-21(32-2)9-11-25/h3-7,12-13,21H,8-11,14-15H2,1-2H3,(H2,28,29)/t21-,25-,26? PFWUIIHFJCWRDR-AHQGXOPPSA-N 113280 US10336717, Compound 58::US8633212, 58::US9212153, 58 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 969.7 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113280 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113280&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197581 199994996 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234950 COC1CCC2(Cc3ccc(cc3C22CC(=O)N(C)C(N)=N2)-c2cccnc2)CC1 InChI=1S/C24H28N4O2/c1-28-21(29)14-24(27-22(28)25)20-12-16(18-4-3-11-26-15-18)5-6-17(20)13-23(24)9-7-19(30-2)8-10-23/h3-6,11-12,15,19H,7-10,13-14H2,1-2H3,(H2,25,27) VXWOTULKVKXBME-UHFFFAOYSA-N 113281 US10336717, Compound 59::US8633212, 59::US9212153, 59 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 1554.9 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113281 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113281&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 46927333 199994997 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234951 CN1O[C@]2(N=C1N)c1cc(ccc1C[C@]21CCc2ccccc2C1)-c1cccc(c1)C#N InChI=1S/C27H24N4O/c1-31-25(29)30-27(32-31)24-14-21(20-8-4-5-18(13-20)17-28)9-10-23(24)16-26(27)12-11-19-6-2-3-7-22(19)15-26/h2-10,13-14H,11-12,15-16H2,1H3,(H2,29,30)/t26-,27-/m1/s1 MSYXYCKNYXJRHO-KAYWLYCHSA-N 113282 US10336717, Compound 60::US8633212, 60::US9212153, 60 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 1856.1 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113282 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113282&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197252 199994998 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234952 CO[C@@H]1CC2(C[C@@H]1OC)Cc1ccc(cc1C21ON(C)C(N)=N1)-c1cccc(c1)C#N InChI=1S/C24H26N4O3/c1-28-22(26)27-24(31-28)19-10-17(16-6-4-5-15(9-16)14-25)7-8-18(19)11-23(24)12-20(29-2)21(13-23)30-3/h4-10,20-21H,11-13H2,1-3H3,(H2,26,27)/t20-,21+,23?,24? WGLDRGVBLRCVPG-MNZGCLKASA-N 113279 US10336717, Compound 62::US8633212, 57::US8633212, 62::US9212153, 62 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 4106 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113279 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113279&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197021 199994995 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234953 CN1OC2(N=C1N)c1cc(ccc1CCC21CCc2ccccc2CC1)-c1cccc(c1)C#N InChI=1S/C29H28N4O/c1-33-27(31)32-29(34-33)26-18-25(24-8-4-5-20(17-24)19-30)10-9-23(26)13-16-28(29)14-11-21-6-2-3-7-22(21)12-15-28/h2-10,17-18H,11-16H2,1H3,(H2,31,32) GWWCGICESDTPKG-UHFFFAOYSA-N 113285 US10336717, Compound 63::US8633212, 63 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 5053.9 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113285 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113285&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58198156 199995001 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234954 CO[C@H]1CC[C@@]2(Cc3ccc(Br)cc3C22CC(=O)N(C)C(N)=N2)CC1 InChI=1S/C19H24BrN3O2/c1-23-16(24)11-19(22-17(23)21)15-9-13(20)4-3-12(15)10-18(19)7-5-14(25-2)6-8-18/h3-4,9,14H,5-8,10-11H2,1-2H3,(H2,21,22)/t14-,18-,19? MCQFTCPFMYIOBK-FGWLZILTSA-N 113286 US10336717, Compound 64::US8633212, 64::US9212153, 64 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 36244.8 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113286 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113286&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 46927332 199995002 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234955 CO[C@H]1CC[C@]2(Cc3ccc(cc3C22CC(=O)N(C)C(N)=N2)-c2cccc(c2)C#N)CC1 InChI=1S/C26H28N4O2/c1-30-23(31)15-26(29-24(30)28)22-13-19(18-5-3-4-17(12-18)16-27)6-7-20(22)14-25(26)10-8-21(32-2)9-11-25/h3-7,12-13,21H,8-11,14-15H2,1-2H3,(H2,28,29)/t21-,25+,26? PFWUIIHFJCWRDR-OILLYGADSA-N 113287 US10336717, Compound 65::US8633212, 65::US9212153, 65 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 50000 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113287 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113287&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197581 199995003 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234956 CO[C@H]1CC[C@]2(Cc3ccc(Br)cc3C22CC(=O)N(C)C(N)=N2)CC1 InChI=1S/C19H24BrN3O2/c1-23-16(24)11-19(22-17(23)21)15-9-13(20)4-3-12(15)10-18(19)7-5-14(25-2)6-8-18/h3-4,9,14H,5-8,10-11H2,1-2H3,(H2,21,22)/t14-,18+,19? MCQFTCPFMYIOBK-GDOSBZBXSA-N 113288 US10336717, Compound 66::US8633212, 66::US9212153, 66 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 200000 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113288 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113288&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 46927332 199995004 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234957 CN1OC2(N=C1N)c1cc(Br)ccc1OC21CCc2ccccc2CC1 InChI=1S/C20H20BrN3O2/c1-24-18(22)23-20(26-24)16-12-15(21)6-7-17(16)25-19(20)10-8-13-4-2-3-5-14(13)9-11-19/h2-7,12H,8-11H2,1H3,(H2,22,23) DMRMCCPIFVLESW-UHFFFAOYSA-N 113289 US10336717, Compound 67::US8633212, 67 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 138.5 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113289 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113289&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197770 199995005 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234958 COC1CCC2(CC1)Oc1ccc(cc1C21ON(C)C(N)=N1)-c1cccc(c1)C#N InChI=1S/C23H24N4O3/c1-27-21(25)26-23(30-27)19-13-17(16-5-3-4-15(12-16)14-24)6-7-20(19)29-22(23)10-8-18(28-2)9-11-22/h3-7,12-13,18H,8-11H2,1-2H3,(H2,25,26) RKWNRQFUFJRELN-UHFFFAOYSA-N 113290 US8633212, 68 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 1778.6 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113290 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113290&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197231 199995006 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234959 CN1OC2(CC3(CCOCC3)c3ccc(cc23)-c2cccc(c2)C#N)N=C1N InChI=1S/C22H22N4O2/c1-26-20(24)25-22(28-26)14-21(7-9-27-10-8-21)18-6-5-17(12-19(18)22)16-4-2-3-15(11-16)13-23/h2-6,11-12H,7-10,14H2,1H3,(H2,24,25) DGVFBBOFIWQCGC-UHFFFAOYSA-N 113291 US10336717, Compound 69::US8633212, 69::US9212153, 69 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 4702.2 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113291 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113291&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 46927168 199995007 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234960 COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)C#CC2CC2)CC1 InChI=1S/C23H27N3O2/c1-26-20(27)23(25-21(26)24)19-13-16(6-5-15-3-4-15)7-8-17(19)14-22(23)11-9-18(28-2)10-12-22/h7-8,13,15,18H,3-4,9-12,14H2,1-2H3,(H2,24,25) USHFPDQMSUANTM-UHFFFAOYSA-N 113298 US10336717, Compound 76::US8633212, 76::US9212153, 76 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 2.1 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113298 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113298&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197109 199995014 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234961 CCOC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cccc(c2)C#N)CC1 InChI=1S/C25H28N4O2/c1-3-30-21-9-11-24(12-10-21)15-20-8-7-19(18-6-4-5-17(13-18)16-26)14-22(20)25(24)28-23(27)29(2)31-25/h4-8,13-14,21H,3,9-12,15H2,1-2H3,(H2,27,28) JHQHHCUZYLLSKH-UHFFFAOYSA-N 113304 US10336717, Compound 82::US8633212, 82::US9212153, 82 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 432.3 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113304 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113304&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197987 199995020 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234962 COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cc(F)cc(Cl)c2)CC1 InChI=1S/C23H25ClFN3O2/c1-28-21(26)27-23(30-28)20-11-14(16-9-17(24)12-18(25)10-16)3-4-15(20)13-22(23)7-5-19(29-2)6-8-22/h3-4,9-12,19H,5-8,13H2,1-2H3,(H2,26,27) VIMGJCVRUVNFFH-UHFFFAOYSA-N 113223 US8633212, 1 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 2.6 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113223 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113223&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 46892271 199994939 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234963 COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cc(Cl)cc(c2)C#N)CC1 InChI=1S/C24H25ClN4O2/c1-29-22(27)28-24(31-29)21-12-16(18-9-15(14-26)10-19(25)11-18)3-4-17(21)13-23(24)7-5-20(30-2)6-8-23/h3-4,9-12,20H,5-8,13H2,1-2H3,(H2,27,28) UUXWNRAWHSOACD-UHFFFAOYSA-N 113224 US8633212, 2 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 3.5 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113224 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113224&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58198025 199994940 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234964 COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)C#CC2CC2)CC1 InChI=1S/C22H27N3O2/c1-25-20(23)24-22(27-25)19-13-16(6-5-15-3-4-15)7-8-17(19)14-21(22)11-9-18(26-2)10-12-21/h7-8,13,15,18H,3-4,9-12,14H2,1-2H3,(H2,23,24) WFTQDRDBPXDEDS-UHFFFAOYSA-N 113225 US10336717, Compound 3::US8633212, 3 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 4.5 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113225 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113225&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197273 199994941 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234965 COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cccc(c2)C#N)CC1 InChI=1S/C25H26N4O2/c1-29-22(30)25(28-23(29)27)21-13-18(17-5-3-4-16(12-17)15-26)6-7-19(21)14-24(25)10-8-20(31-2)9-11-24/h3-7,12-13,20H,8-11,14H2,1-2H3,(H2,27,28) CQCYWEAFJHYRMA-UHFFFAOYSA-N 113226 US8633212, 4 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 4 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113226 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113226&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197221 199994942 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234966 COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cccc(Cl)c2)CC1 InChI=1S/C23H26ClN3O2/c1-27-21(25)26-23(29-27)20-13-16(15-4-3-5-18(24)12-15)6-7-17(20)14-22(23)10-8-19(28-2)9-11-22/h3-7,12-13,19H,8-11,14H2,1-2H3,(H2,25,26) FBXRSVMHWHFIPB-UHFFFAOYSA-N 113227 US8633212, 5 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 4.5 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113227 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113227&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197627 199994943 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234967 COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cc(Cl)cc(Cl)c2)CC1 InChI=1S/C23H25Cl2N3O2/c1-28-21(26)27-23(30-28)20-11-14(16-9-17(24)12-18(25)10-16)3-4-15(20)13-22(23)7-5-19(29-2)6-8-22/h3-4,9-12,19H,5-8,13H2,1-2H3,(H2,26,27) FHPPAGFELZIYMX-UHFFFAOYSA-N 113228 US8633212, 6 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 4.8 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113228 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113228&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197190 199994944 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234968 COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cc(Cl)cc(OC)c2)CC1 InChI=1S/C24H28ClN3O3/c1-28-22(26)27-24(31-28)21-12-15(17-10-18(25)13-20(11-17)30-3)4-5-16(21)14-23(24)8-6-19(29-2)7-9-23/h4-5,10-13,19H,6-9,14H2,1-3H3,(H2,26,27) CQATWEDKZUQSBB-UHFFFAOYSA-N 113229 US8633212, 7 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 5.9 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113229 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113229&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197457 199994945 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234969 COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cc(F)cc(c2)C#N)CC1 InChI=1S/C24H25FN4O2/c1-29-22(27)28-24(31-29)21-12-16(18-9-15(14-26)10-19(25)11-18)3-4-17(21)13-23(24)7-5-20(30-2)6-8-23/h3-4,9-12,20H,5-8,13H2,1-2H3,(H2,27,28) NEQPLWSIFDHTSW-UHFFFAOYSA-N 113230 US8633212, 8 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 5.9 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113230 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113230&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197503 199994946 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234970 COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cccc(OC(F)(F)F)c2)CC1 InChI=1S/C24H26F3N3O3/c1-30-21(28)29-23(33-30)20-13-16(15-4-3-5-19(12-15)32-24(25,26)27)6-7-17(20)14-22(23)10-8-18(31-2)9-11-22/h3-7,12-13,18H,8-11,14H2,1-2H3,(H2,28,29) YUXAILNGSXIUQD-UHFFFAOYSA-N 113231 US8633212, 9 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 7 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113231 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113231&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197393 199994947 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234805 CCC(C)N1C(N)=NC2(C1=O)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC)C#N InChI=1S/C22H28N4O2/c1-4-14(2)26-19(27)22(25-20(26)24)18-11-15(13-23)5-6-16(18)12-21(22)9-7-17(28-3)8-10-21/h5-6,11,14,17H,4,7-10,12H2,1-3H3,(H2,24,25)/t14?,17-,21-,22? VAMOVLHTXJXUHJ-UEMDKQHOSA-N 113316 US10336717, Compound 481::US8633212, 481::US9212153, 481 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 273.6 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113316 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113316&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197701 199995032 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234806 CCCCN1C(N)=NC2(C1=O)c1cc(ccc1CC21CCC(CC1)OC)C#N InChI=1S/C22H28N4O2/c1-3-4-11-26-19(27)22(25-20(26)24)18-12-15(14-23)5-6-16(18)13-21(22)9-7-17(28-2)8-10-21/h5-6,12,17H,3-4,7-11,13H2,1-2H3,(H2,24,25) BRLBZXBEDCQHRA-UHFFFAOYSA-N 113317 US10336717, Compound 482::US8633212, 482::US9212153, 482 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 42.8 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113317 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113317&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197737 199995033 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234807 CCCN1C(N)=NC2(C1=O)c1cc(ccc1CC21CCC(CC1)OC)C#N InChI=1S/C21H26N4O2/c1-3-10-25-18(26)21(24-19(25)23)17-11-14(13-22)4-5-15(17)12-20(21)8-6-16(27-2)7-9-20/h4-5,11,16H,3,6-10,12H2,1-2H3,(H2,23,24) QZVHXQNBSJTKPS-UHFFFAOYSA-N 113318 US10336717, Compound 485::US8633212, 485::US9212153, 485 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 99.1 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113318 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113318&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58198059 199995034 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234808 COCCOc1ccc2CC3(CCC(CC3)OC)C3(N=C(N)N(C(C)C)C3=O)c2c1 InChI=1S/C23H33N3O4/c1-15(2)26-20(27)23(25-21(26)24)19-13-18(30-12-11-28-3)6-5-16(19)14-22(23)9-7-17(29-4)8-10-22/h5-6,13,15,17H,7-12,14H2,1-4H3,(H2,24,25) RIFDAWAZZQDCGV-UHFFFAOYSA-N 113319 US10336717, Compound 486::US8633212, 486::US9212153, 486 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 87.1 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113319 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113319&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197286 199995035 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234809 CO[C@H]1CC[C@@]2(Cc3ccc(CC4CCCCC4)cc3C22ON(C)C(N)=N2)CC1 InChI=1S/C24H35N3O2/c1-27-22(25)26-24(29-27)21-15-18(14-17-6-4-3-5-7-17)8-9-19(21)16-23(24)12-10-20(28-2)11-13-23/h8-9,15,17,20H,3-7,10-14,16H2,1-2H3,(H2,25,26)/t20-,23-,24? OFDSKRLJGFJJEK-MOOVDDBPSA-N 113320 US10336717, Compound 488::US8633212, 488::US9212153, 488 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 76.3 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113320 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113320&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197121 199995036 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234810 CCCc1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(ON(C)C(N)=N3)c2c1 InChI=1S/C20H29N3O2/c1-4-5-14-6-7-15-13-19(10-8-16(24-3)9-11-19)20(17(15)12-14)22-18(21)23(2)25-20/h6-7,12,16H,4-5,8-11,13H2,1-3H3,(H2,21,22)/t16-,19-,20? SWXYTRLEAZYONB-QHARRCRTSA-N 113321 US10336717, Compound 489::US8633212, 489::US9212153, 489 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 92.8 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113321 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113321&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197877 199995037 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234811 CO[C@H]1CC[C@@]2(Cc3ccc(CC(C)C)cc3C22ON(C)C(N)=N2)CC1 InChI=1S/C21H31N3O2/c1-14(2)11-15-5-6-16-13-20(9-7-17(25-4)8-10-20)21(18(16)12-15)23-19(22)24(3)26-21/h5-6,12,14,17H,7-11,13H2,1-4H3,(H2,22,23)/t17-,20-,21? KYOBUNYVSJPTDD-MYPZOXIJSA-N 113322 US10336717, Compound 490::US8633212, 490::US9212153, 490 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 72.8 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113322 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113322&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197630 199995038 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234812 CO[C@H]1CC[C@@]2(Cc3ccc(CC(C)C)cc3C22N=C(N)N(C(C)C)C2=O)CC1 InChI=1S/C24H35N3O2/c1-15(2)12-17-6-7-18-14-23(10-8-19(29-5)9-11-23)24(20(18)13-17)21(28)27(16(3)4)22(25)26-24/h6-7,13,15-16,19H,8-12,14H2,1-5H3,(H2,25,26)/t19-,23-,24? FREIMAFZEMXYEL-AHLJTMJASA-N 113323 US10336717, Compound 491::US8633212, 491::US9212153, 491 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 78.2 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113323 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113323&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197120 199995039 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234813 CO[C@H]1CC[C@@]2(Cc3ccc(CCc4ccccc4)cc3C22ON(C)C(N)=N2)CC1 InChI=1S/C25H31N3O2/c1-28-23(26)27-25(30-28)22-16-19(9-8-18-6-4-3-5-7-18)10-11-20(22)17-24(25)14-12-21(29-2)13-15-24/h3-7,10-11,16,21H,8-9,12-15,17H2,1-2H3,(H2,26,27)/t21-,24-,25? DFRNTCQKLKHICI-TYRCWPPYSA-N 113324 US10336717, Compound 492::US8633212, 492::US9212153, 492 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 403 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113324 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113324&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58198009 199995040 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234814 CCCCCc1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(ON(C)C(N)=N3)c2c1 InChI=1S/C22H33N3O2/c1-4-5-6-7-16-8-9-17-15-21(12-10-18(26-3)11-13-21)22(19(17)14-16)24-20(23)25(2)27-22/h8-9,14,18H,4-7,10-13,15H2,1-3H3,(H2,23,24)/t18-,21-,22? AHAWCXWSOMVMFE-NGZATLCBSA-N 113325 US10336717, Compound 493::US8633212, 493::US9212153, 493 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 29.8 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113325 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113325&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197456 199995041 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234815 CCCc1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(N)N(C(C)C)C3=O)c2c1 InChI=1S/C23H33N3O2/c1-5-6-16-7-8-17-14-22(11-9-18(28-4)10-12-22)23(19(17)13-16)20(27)26(15(2)3)21(24)25-23/h7-8,13,15,18H,5-6,9-12,14H2,1-4H3,(H2,24,25)/t18-,22-,23? GLQQRGMZVMEOLU-VYNBAUGJSA-N 113326 US10336717, Compound 494::US8633212, 494::US9212153, 494 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 54.3 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113326 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113326&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197065 199995042 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234816 CO[C@H]1CC[C@@]2(Cc3ccc(CC4CCCCC4)cc3C22N=C(N)N(C(C)C)C2=O)CC1 InChI=1S/C27H39N3O2/c1-18(2)30-24(31)27(29-25(30)28)23-16-20(15-19-7-5-4-6-8-19)9-10-21(23)17-26(27)13-11-22(32-3)12-14-26/h9-10,16,18-19,22H,4-8,11-15,17H2,1-3H3,(H2,28,29)/t22-,26-,27? CAUQQBFNNIDHGV-JZGZJDTKSA-N 113327 US10336717, Compound 495::US8633212, 495::US9212153, 495 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 44.3 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113327 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113327&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197463 199995043 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234817 CO[C@H]1CC[C@@]2(Cc3ccc(CCc4ccccc4)cc3C22N=C(N)N(C(C)C)C2=O)CC1 InChI=1S/C28H35N3O2/c1-19(2)31-25(32)28(30-26(31)29)24-17-21(10-9-20-7-5-4-6-8-20)11-12-22(24)18-27(28)15-13-23(33-3)14-16-27/h4-8,11-12,17,19,23H,9-10,13-16,18H2,1-3H3,(H2,29,30)/t23-,27-,28? ARUGRUXCLJYOIX-BUTBCHPHSA-N 113328 US10336717, Compound 496::US8633212, 496::US9212153, 496 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 187.8 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113328 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113328&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197075 199995044 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234818 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22ON(C)C(N)=N2)C(C)C)CC1 InChI=1S/C20H29N3O2/c1-13(2)14-5-6-15-12-19(9-7-16(24-4)8-10-19)20(17(15)11-14)22-18(21)23(3)25-20/h5-6,11,13,16H,7-10,12H2,1-4H3,(H2,21,22)/t16-,19-,20? HCSAKWDRASHDCF-QHARRCRTSA-N 113329 US10336717, Compound 497::US8633212, 497::US9212153, 497 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 144.3 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113329 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113329&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197022 199995045 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234819 CO[C@H]1CC[C@@]2(Cc3ccc(CCC(C)C)cc3C22N=C(N)N(C(C)C)C2=O)CC1 InChI=1S/C25H37N3O2/c1-16(2)6-7-18-8-9-19-15-24(12-10-20(30-5)11-13-24)25(21(19)14-18)22(29)28(17(3)4)23(26)27-25/h8-9,14,16-17,20H,6-7,10-13,15H2,1-5H3,(H2,26,27)/t20-,24-,25? MHLVJXQIYBRATN-QXONTCKQSA-N 113330 US10336717, Compound 498::US8633212, 498::US9212153, 498 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 27.1 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113330 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113330&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197045 199995046 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234820 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(C(C)C)C2=O)C(C)C)CC1 InChI=1S/C23H33N3O2/c1-14(2)16-6-7-17-13-22(10-8-18(28-5)9-11-22)23(19(17)12-16)20(27)26(15(3)4)21(24)25-23/h6-7,12,14-15,18H,8-11,13H2,1-5H3,(H2,24,25)/t18-,22-,23? BXYJYKGDGBCKBE-VYNBAUGJSA-N 113331 US10336717, Compound 499::US8633212, 499::US9212153, 499 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 148.9 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113331 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113331&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197041 199995047 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234821 CCc1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(N)N(C(C)C)C3=O)c2c1 InChI=1S/C22H31N3O2/c1-5-15-6-7-16-13-21(10-8-17(27-4)9-11-21)22(18(16)12-15)19(26)25(14(2)3)20(23)24-22/h6-7,12,14,17H,5,8-11,13H2,1-4H3,(H2,23,24)/t17-,21-,22? UGKOQTFUFLBOMB-JOECNLHFSA-N 113332 US10336717, Compound 500::US8633212, 500::US9212153, 500 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 199.3 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113332 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113332&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197782 199995048 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234822 CO[C@H]1CC[C@@]2(Cc3ccc(CCC(C)C)cc3C22N=C(N)N(C)C2=O)CC1 InChI=1S/C23H33N3O2/c1-15(2)5-6-16-7-8-17-14-22(11-9-18(28-4)10-12-22)23(19(17)13-16)20(27)26(3)21(24)25-23/h7-8,13,15,18H,5-6,9-12,14H2,1-4H3,(H2,24,25)/t18-,22-,23? RYMHRRJVTCOMJD-VYNBAUGJSA-N 113333 US10336717, Compound 515::US8633212, 501::US8633212, 515::US9212153, 515 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 15.8 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113333 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113333&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197178 199995049 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234823 CCc1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(ON(C)C(N)=N3)c2c1 InChI=1S/C19H27N3O2/c1-4-13-5-6-14-12-18(9-7-15(23-3)8-10-18)19(16(14)11-13)21-17(20)22(2)24-19/h5-6,11,15H,4,7-10,12H2,1-3H3,(H2,20,21)/t15-,18-,19? UEGQCHSXFSMDKJ-DUWYVTJWSA-N 113334 US10336717, Compound 502::US8633212, 502::US9212153, 502 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 521.1 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113334 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113334&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197896 199995050 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234824 CCCCCc1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(N)N(C(C)C)C3=O)c2c1 InChI=1S/C25H37N3O2/c1-5-6-7-8-18-9-10-19-16-24(13-11-20(30-4)12-14-24)25(21(19)15-18)22(29)28(17(2)3)23(26)27-25/h9-10,15,17,20H,5-8,11-14,16H2,1-4H3,(H2,26,27)/t20-,24-,25? YLEMXAHYOAGFNS-QXONTCKQSA-N 113335 US10336717, Compound 503::US8633212, 503::US9212153, 503 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 39 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113335 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113335&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197597 199995051 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234825 CO[C@H]1CC[C@@]2(Cc3ccc(OCc4ccc(OC)cc4)cc3C22N=C(N)N(C)C2=O)CC1 InChI=1S/C26H31N3O4/c1-29-23(30)26(28-24(29)27)22-14-21(33-16-17-4-7-19(31-2)8-5-17)9-6-18(22)15-25(26)12-10-20(32-3)11-13-25/h4-9,14,20H,10-13,15-16H2,1-3H3,(H2,27,28)/t20-,25-,26? XYVYKKFXSFXXOR-QPYJLFMVSA-N 113336 US8633212, 504 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 807 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113336 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113336&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197200 199995052 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234826 CO[C@H]1CC[C@@]2(Cc3ccc(OC(C)C)cc3C22N=C(N)N(C)C2=O)CC1 InChI=1S/C21H29N3O3/c1-13(2)27-16-6-5-14-12-20(9-7-15(26-4)8-10-20)21(17(14)11-16)18(25)24(3)19(22)23-21/h5-6,11,13,15H,7-10,12H2,1-4H3,(H2,22,23)/t15-,20-,21? NRXARCITFDOHSG-CITOCJSESA-N 113337 US8633212, 505 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 170.6 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113337 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113337&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197369 199995053 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234827 CO[C@H]1CC[C@@]2(Cc3ccc(OCC4CCC4)cc3C22N=C(N)N(C(C)C)C2=O)CC1 InChI=1S/C25H35N3O3/c1-16(2)28-22(29)25(27-23(28)26)21-13-20(31-15-17-5-4-6-17)8-7-18(21)14-24(25)11-9-19(30-3)10-12-24/h7-8,13,16-17,19H,4-6,9-12,14-15H2,1-3H3,(H2,26,27)/t19-,24-,25? QDCFAECEEQJIMP-SSEMJGATSA-N 113338 US10336717, Compound 506::US8633212, 506::US9212153, 506 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 34.3 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113338 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113338&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197086 199995054 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234828 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(C(C)C)C2=O)C2CCCC2)CC1 InChI=1S/C25H35N3O2/c1-16(2)28-22(29)25(27-23(28)26)21-14-18(17-6-4-5-7-17)8-9-19(21)15-24(25)12-10-20(30-3)11-13-24/h8-9,14,16-17,20H,4-7,10-13,15H2,1-3H3,(H2,26,27)/t20-,24-,25? UROGHDPZGITNBK-QXONTCKQSA-N 113339 US10336717, Compound 507::US8633212, 507::US9212153, 507 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 128 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113339 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113339&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197189 199995055 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234829 CCCCc1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(N)N(C(C)C)C3=O)c2c1 InChI=1S/C24H35N3O2/c1-5-6-7-17-8-9-18-15-23(12-10-19(29-4)11-13-23)24(20(18)14-17)21(28)27(16(2)3)22(25)26-24/h8-9,14,16,19H,5-7,10-13,15H2,1-4H3,(H2,25,26)/t19-,23-,24? ZDKSPSGBAWGNAS-AHLJTMJASA-N 113340 US10336717, Compound 508::US8633212, 508::US9212153, 508 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 48 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113340 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113340&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197300 199995056 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234830 CO[C@H]1CC[C@@]2(Cc3ccc(CC(C)(C)C)cc3C22N=C(N)N(C(C)C)C2=O)CC1 InChI=1S/C25H37N3O2/c1-16(2)28-21(29)25(27-22(28)26)20-13-17(14-23(3,4)5)7-8-18(20)15-24(25)11-9-19(30-6)10-12-24/h7-8,13,16,19H,9-12,14-15H2,1-6H3,(H2,26,27)/t19-,24-,25? AUUGFAOCTKCMDR-SSEMJGATSA-N 113341 US10336717, Compound 509::US8633212, 509::US9212153, 509 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 267 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113341 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113341&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197267 199995057 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234831 COc1cccc(c1)-c1ccc2C[C@@]3(CC[C@@H](CC3)OC(C)C)C3(N=C(N)N(C)C3=O)c2c1 InChI=1S/C27H33N3O3/c1-17(2)33-21-10-12-26(13-11-21)16-20-9-8-19(18-6-5-7-22(14-18)32-4)15-23(20)27(26)24(31)30(3)25(28)29-27/h5-9,14-15,17,21H,10-13,16H2,1-4H3,(H2,28,29)/t21-,26-,27? IQRVEIZRPVZDNO-MJPADRBUSA-N 113342 US10336717, Compound 510::US8633212, 510::US9212153, 510 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 61 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113342 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113342&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197105 199995058 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234832 CO[C@H]1CC[C@@]2(Cc3ccc(CCC(C)C)cc3C22N=C(N)N(CC(F)F)C2=O)CC1 InChI=1S/C24H33F2N3O2/c1-15(2)4-5-16-6-7-17-13-23(10-8-18(31-3)9-11-23)24(19(17)12-16)21(30)29(14-20(25)26)22(27)28-24/h6-7,12,15,18,20H,4-5,8-11,13-14H2,1-3H3,(H2,27,28)/t18-,23-,24? AQPOMRPIMCWGED-SCRAKJMHSA-N 113343 US10336717, Compound 511::US8633212, 511::US9212153, 511 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 9 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113343 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113343&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197631 199995059 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234833 CO[C@H]1CC[C@@]2(Cc3ccc(CCC(C)C)cc3C22N=C(N)N(CC(F)(F)F)C2=O)CC1 InChI=1S/C24H32F3N3O2/c1-15(2)4-5-16-6-7-17-13-22(10-8-18(32-3)9-11-22)24(19(17)12-16)20(31)30(21(28)29-24)14-23(25,26)27/h6-7,12,15,18H,4-5,8-11,13-14H2,1-3H3,(H2,28,29)/t18-,22-,24? ASRQRVJKDUDBQT-ZCAYIEKSSA-N 113344 US10336717, Compound 512::US8633212, 512::US9212153, 512 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 77 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113344 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113344&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197571 199995060 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234834 COCCN1C(N)=NC2(C1=O)c1cc(CCC(C)C)ccc1C[C@@]21CC[C@@H](CC1)OC InChI=1S/C25H37N3O3/c1-17(2)5-6-18-7-8-19-16-24(11-9-20(31-4)10-12-24)25(21(19)15-18)22(29)28(13-14-30-3)23(26)27-25/h7-8,15,17,20H,5-6,9-14,16H2,1-4H3,(H2,26,27)/t20-,24-,25? KHEVEQJKEGRYGK-QXONTCKQSA-N 113345 US10336717, Compound 513::US8633212, 513::US9212153, 513 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 9 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113345 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113345&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197744 199995061 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234835 CCN1C(N)=NC2(C1=O)c1cc(CCC(C)C)ccc1C[C@@]21CC[C@@H](CC1)OC InChI=1S/C24H35N3O2/c1-5-27-21(28)24(26-22(27)25)20-14-17(7-6-16(2)3)8-9-18(20)15-23(24)12-10-19(29-4)11-13-23/h8-9,14,16,19H,5-7,10-13,15H2,1-4H3,(H2,25,26)/t19-,23-,24? BRTNIWGKZCEXSN-AHLJTMJASA-N 113346 US10336717, Compound 514::US8633212, 514::US9212153, 514 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 8 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113346 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113346&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197789 199995062 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234836 CO[C@H]1CC[C@@]2(Cc3ccc(CCC(C)C)cc3C22N=C(N)N(C)C2=O)CC1 InChI=1S/C23H33N3O2/c1-15(2)5-6-16-7-8-17-14-22(11-9-18(28-4)10-12-22)23(19(17)13-16)20(27)26(3)21(24)25-23/h7-8,13,15,18H,5-6,9-12,14H2,1-4H3,(H2,24,25)/t18-,22-,23? RYMHRRJVTCOMJD-VYNBAUGJSA-N 113333 US10336717, Compound 515::US8633212, 501::US8633212, 515::US9212153, 515 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 10 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113333 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113333&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197178 199995049 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234837 CO[C@H]1CC[C@@]2(Cc3ccc(OCc4ccccc4)cc3C22ON(C)C(N)=N2)CC1 InChI=1S/C24H29N3O3/c1-27-22(25)26-24(30-27)21-14-20(29-16-17-6-4-3-5-7-17)9-8-18(21)15-23(24)12-10-19(28-2)11-13-23/h3-9,14,19H,10-13,15-16H2,1-2H3,(H2,25,26)/t19-,23-,24? CIPLWUBAYCECKC-AHLJTMJASA-N 113348 US10336717, Compound 516::US8633212, 516 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 890 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113348 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113348&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197332 199995064 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234838 COc1cccc(c1)-c1ccc2C[C@]3(CC[C@@](C)(O)CC3)C3(ON(C)C(N)=N3)c2c1 InChI=1S/C24H29N3O3/c1-22(28)9-11-23(12-10-22)15-18-8-7-17(16-5-4-6-19(13-16)29-3)14-20(18)24(23)26-21(25)27(2)30-24/h4-8,13-14,28H,9-12,15H2,1-3H3,(H2,25,26)/t22-,23-,24? OFJOAKRTCYRUHH-IHJHTLIFSA-N 113349 US10336717, Compound 517::US8633212, 517::US9212153, 517 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 877.1 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113349 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113349&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58198127 199995065 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234839 CO[C@H]1CC[C@@]2(Cc3cc(F)c(OCC(F)(F)F)cc3C22ON(C)C(N)=N2)CC1 InChI=1S/C19H23F4N3O3/c1-26-16(24)25-19(29-26)13-8-15(28-10-18(21,22)23)14(20)7-11(13)9-17(19)5-3-12(27-2)4-6-17/h7-8,12H,3-6,9-10H2,1-2H3,(H2,24,25)/t12-,17-,19? NXEAKTXISQETQH-OYWNEJBCSA-N 113350 US10336717, Compound 518::US8633212, 518::US9212153, 518 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 53 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113350 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113350&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197080 199995066 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234840 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(CC(O)=O)C2=O)C#CC2CC2)CC1 InChI=1S/C24H27N3O4/c1-31-18-8-10-23(11-9-18)13-17-7-6-16(5-4-15-2-3-15)12-19(17)24(23)21(30)27(14-20(28)29)22(25)26-24/h6-7,12,15,18H,2-3,8-11,13-14H2,1H3,(H2,25,26)(H,28,29)/t18-,23-,24? HZNUBARSODQFCB-SCRAKJMHSA-N 113352 US10336717, Compound 524::US8633212, 524::US9212153, 524 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 5 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113352 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113352&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197632 199995068 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234841 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(CCF)C2=O)-c2ncco2)CC1 InChI=1S/C22H25FN4O3/c1-29-16-4-6-21(7-5-16)13-15-3-2-14(18-25-9-11-30-18)12-17(15)22(21)19(28)27(10-8-23)20(24)26-22/h2-3,9,11-12,16H,4-8,10,13H2,1H3,(H2,24,26)/t16-,21-,22? PCRZSVZJXIZFIL-SOVYMCNHSA-N 113353 US10336717, Compound 529::US8633212, 529::US9212153, 529 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 128 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113353 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113353&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197331 199995069 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234842 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(CCF)C2=O)-c2nccs2)CC1 InChI=1S/C22H25FN4O2S/c1-29-16-4-6-21(7-5-16)13-15-3-2-14(18-25-9-11-30-18)12-17(15)22(21)19(28)27(10-8-23)20(24)26-22/h2-3,9,11-12,16H,4-8,10,13H2,1H3,(H2,24,26)/t16-,21-,22? JARPBKUMPZZCMV-SOVYMCNHSA-N 113354 US10336717, Compound 530::US8633212, 530::US9212153, 530 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 115 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113354 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113354&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197971 199995070 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234843 CO[C@H]1CC[C@@]2(Cc3ccc(Cl)cc3C22N=C(N)N(C(C)C)C2=O)CC1 InChI=1S/C20H26ClN3O2/c1-12(2)24-17(25)20(23-18(24)22)16-10-14(21)5-4-13(16)11-19(20)8-6-15(26-3)7-9-19/h4-5,10,12,15H,6-9,11H2,1-3H3,(H2,22,23)/t15-,19-,20? WDPCNQFTFOPBBS-GCUVUNJKSA-N 113355 US10336717, Compound 531::US8633212, 531::US9212153, 531 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 169 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113355 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113355&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197222 199995071 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234844 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(CC(F)(F)F)C2=O)-c2ncc(C)s2)CC1 InChI=1S/C23H25F3N4O2S/c1-13-11-28-18(33-13)14-3-4-15-10-21(7-5-16(32-2)6-8-21)23(17(15)9-14)19(31)30(20(27)29-23)12-22(24,25)26/h3-4,9,11,16H,5-8,10,12H2,1-2H3,(H2,27,29)/t16-,21-,23? OUJTWSTUVLKMJE-IPMGMPQXSA-N 113356 US10336717, Compound 532::US8633212, 532::US9212153, 532 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 320 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113356 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113356&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197193 199995072 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234845 COCCN1C(N)=NC2(C1=O)c1cc(OC(F)F)ccc1C[C@@]21CC[C@@H](CC1)OC InChI=1S/C21H27F2N3O4/c1-28-10-9-26-17(27)21(25-19(26)24)16-11-15(30-18(22)23)4-3-13(16)12-20(21)7-5-14(29-2)6-8-20/h3-4,11,14,18H,5-10,12H2,1-2H3,(H2,24,25)/t14-,20-,21? HNYRTHJZRURRDN-QWJVFFQSSA-N 113357 US10336717, Compound 534::US8633212, 534::US9212153, 534 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 128 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113357 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113357&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197773 199995073 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234846 COCCN1C(N)=NC2(C1=O)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC)C1CC1 InChI=1S/C23H31N3O3/c1-28-12-11-26-20(27)23(25-21(26)24)19-13-16(15-3-4-15)5-6-17(19)14-22(23)9-7-18(29-2)8-10-22/h5-6,13,15,18H,3-4,7-12,14H2,1-2H3,(H2,24,25)/t18-,22-,23? RXHPIRHKFAXUJM-VYNBAUGJSA-N 113358 US10336717, Compound 536::US8633212, 536 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 172 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113358 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113358&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197208 199995074 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234847 COCCN1C(N)=NC2(C1=O)c1cc(Cl)ccc1C[C@@]21CC[C@@H](CC1)OC InChI=1S/C20H26ClN3O3/c1-26-10-9-24-17(25)20(23-18(24)22)16-11-14(21)4-3-13(16)12-19(20)7-5-15(27-2)6-8-19/h3-4,11,15H,5-10,12H2,1-2H3,(H2,22,23)/t15-,19-,20? CFTNYXVUJWVMSN-GCUVUNJKSA-N 113359 US10336717, Compound 537::US8633212, 537::US9212153, 537 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 88 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113359 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113359&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 46927251 199995075 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234848 COCCO[C@H]1CC[C@@]2(Cc3ccc(Cl)cc3C22N=C(N)N(C)C2=O)CC1 InChI=1S/C20H26ClN3O3/c1-24-17(25)20(23-18(24)22)16-11-14(21)4-3-13(16)12-19(20)7-5-15(6-8-19)27-10-9-26-2/h3-4,11,15H,5-10,12H2,1-2H3,(H2,22,23)/t15-,19-,20? CTSKFXOISVNIHW-GCUVUNJKSA-N 113360 US10336717, Compound 538::US8633212, 538::US9212153, 538 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 614 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113360 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113360&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58198130 199995076 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234849 CO[C@H]1CC[C@@]2(Cc3ccc(Br)cc3C22CC(C)(C)SC(N)=N2)CC1 InChI=1S/C20H27BrN2OS/c1-18(2)12-20(23-17(22)25-18)16-10-14(21)5-4-13(16)11-19(20)8-6-15(24-3)7-9-19/h4-5,10,15H,6-9,11-12H2,1-3H3,(H2,22,23)/t15-,19-,20? HEAYOYFPQWLFLJ-GCUVUNJKSA-N 113361 US10336717, Compound 539::US8633212, 539::US9212153, 539 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 2440 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113361 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113361&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197128 199995077 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234850 CO[C@H]1CC[C@@]2(Cc3ccc(Cl)cc3C22N=C(N)N(CC(F)F)C2=O)CC1 InChI=1S/C19H22ClF2N3O2/c1-27-13-4-6-18(7-5-13)9-11-2-3-12(20)8-14(11)19(18)16(26)25(10-15(21)22)17(23)24-19/h2-3,8,13,15H,4-7,9-10H2,1H3,(H2,23,24)/t13-,18-,19? VWSDIIXNMAXQPM-QCIMMEKQSA-N 113362 US10336717, Compound 540::US8633212, 540::US9212153, 540 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 138 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113362 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113362&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 46927252 199995078 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234851 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(CC(N)=O)C2=O)C#CC2CC2)CC1 InChI=1S/C24H28N4O3/c1-31-18-8-10-23(11-9-18)13-17-7-6-16(5-4-15-2-3-15)12-19(17)24(23)21(30)28(14-20(25)29)22(26)27-24/h6-7,12,15,18H,2-3,8-11,13-14H2,1H3,(H2,25,29)(H2,26,27)/t18-,23-,24? JDDZMDIVSDUIPI-SCRAKJMHSA-N 113363 US10336717, Compound 542::US8633212, 542::US9212153, 542 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 11 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113363 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113363&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197651 199995079 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234852 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(CC(=O)OC(C)C)C2=O)C#CC2CC2)CC1 InChI=1S/C27H33N3O4/c1-17(2)34-23(31)16-30-24(32)27(29-25(30)28)22-14-19(7-6-18-4-5-18)8-9-20(22)15-26(27)12-10-21(33-3)11-13-26/h8-9,14,17-18,21H,4-5,10-13,15-16H2,1-3H3,(H2,28,29)/t21-,26-,27? IQOVRUKEVDUCMP-MJPADRBUSA-N 113364 US10336717, Compound 543::US8633212, 543::US9212153, 543 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 4.5 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113364 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113364&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58198336 199995080 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234853 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(CCC(=O)OC(C)C)C2=O)C#CC2CC2)CC1 InChI=1S/C28H35N3O4/c1-18(2)35-24(32)12-15-31-25(33)28(30-26(31)29)23-16-20(7-6-19-4-5-19)8-9-21(23)17-27(28)13-10-22(34-3)11-14-27/h8-9,16,18-19,22H,4-5,10-15,17H2,1-3H3,(H2,29,30)/t22-,27-,28? AKXWFJBTAJOEAX-BZMINTDKSA-N 113365 US10336717, Compound 544::US8633212, 544::US9212153, 544 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 21 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113365 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113365&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 46927253 199995081 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234854 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(Cc3nnc(C)s3)C2=O)C#CC2CC2)CC1 InChI=1S/C26H29N5O2S/c1-16-29-30-22(34-16)15-31-23(32)26(28-24(31)27)21-13-18(6-5-17-3-4-17)7-8-19(21)14-25(26)11-9-20(33-2)10-12-25/h7-8,13,17,20H,3-4,9-12,14-15H2,1-2H3,(H2,27,28)/t20-,25-,26? KHYZSAFYTBPNGL-QPYJLFMVSA-N 113366 US10336717, Compound 545::US8633212, 545::US9212153, 545 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 9.4 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113366 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113366&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197106 199995082 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234855 CO[C@H]1CC[C@@]2(Cc3ccc(Cl)cc3C22ON(C)C(N)=N2)CC1 InChI=1S/C17H22ClN3O2/c1-21-15(19)20-17(23-21)14-9-12(18)4-3-11(14)10-16(17)7-5-13(22-2)6-8-16/h3-4,9,13H,5-8,10H2,1-2H3,(H2,19,20)/t13-,16-,17? LCIULEWMQPEFHT-OKHZSEBCSA-N 113367 US10336717, Compound 546::US8633212, 546::US9212153, 546 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 212 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113367 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113367&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197788 199995083 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234856 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22ON(C)C(N)=N2)C#N)CC1 InChI=1S/C18H22N4O2/c1-22-16(20)21-18(24-22)15-9-12(11-19)3-4-13(15)10-17(18)7-5-14(23-2)6-8-17/h3-4,9,14H,5-8,10H2,1-2H3,(H2,20,21)/t14-,17-,18? AOZVUBOFLFKDDG-KSVBBAIVSA-N 113368 US10336717, Compound 547::US8633212, 547::US9212153, 547 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 157 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113368 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113368&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197521 199995084 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234857 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22CC(=N)N(C(C)C)C2=O)-c2cnc(C)nc2)CC1 InChI=1S/C26H32N4O2/c1-16(2)30-23(27)13-26(24(30)31)22-11-18(20-14-28-17(3)29-15-20)5-6-19(22)12-25(26)9-7-21(32-4)8-10-25/h5-6,11,14-16,21,27H,7-10,12-13H2,1-4H3/t21-,25-,26? HCTSCAWGPPMCIN-AHQGXOPPSA-N 113369 US8633212, 548 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 23 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113369 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113369&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 91663980 199995085 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234858 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)N2CCCC2=O)CC1 InChI=1S/C22H28N4O3/c1-25-19(28)22(24-20(25)23)17-12-15(26-11-3-4-18(26)27)6-5-14(17)13-21(22)9-7-16(29-2)8-10-21/h5-6,12,16H,3-4,7-11,13H2,1-2H3,(H2,23,24)/t16-,21-,22? BMZHJFBVHCBBQH-SOVYMCNHSA-N 113370 US10336717, Compound 549::US8633212, 549::US9212153, 549 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 110 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113370 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113370&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197195 199995086 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234859 COCCOc1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(CC(=N)N(CC(F)(F)F)C3=O)c2c1 InChI=1S/C23H29F3N2O4/c1-30-9-10-32-17-4-3-15-12-21(7-5-16(31-2)6-8-21)22(18(15)11-17)13-19(27)28(20(22)29)14-23(24,25)26/h3-4,11,16,27H,5-10,12-14H2,1-2H3/t16-,21-,22? ZCRIPRODVPMYDN-SOVYMCNHSA-N 113371 US8633212, 550 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 77 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113371 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113371&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 91663981 199995087 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234860 CO[C@H]1CC[C@@]2(Cc3ccc(OCC(F)(F)F)cc3C22N=C(N)N(CCF)C2=O)CC1 InChI=1S/C21H25F4N3O3/c1-30-14-4-6-19(7-5-14)11-13-2-3-15(31-12-20(23,24)25)10-16(13)21(19)17(29)28(9-8-22)18(26)27-21/h2-3,10,14H,4-9,11-12H2,1H3,(H2,26,27)/t14-,19-,21? GCNZQNXCFKMJOJ-WUFFQQIKSA-N 113372 US10336717, Compound 552::US8633212, 552::US9212153, 552 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 25 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113372 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113372&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197824 199995088 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234861 CO[C@H]1CC[C@@]2(Cc3ccc(OCC(F)(F)F)cc3C22N=C(N)N(CC(F)(F)F)C2=O)CC1 InChI=1S/C21H23F6N3O3/c1-32-13-4-6-18(7-5-13)9-12-2-3-14(33-11-20(25,26)27)8-15(12)21(18)16(31)30(17(28)29-21)10-19(22,23)24/h2-3,8,13H,4-7,9-11H2,1H3,(H2,28,29)/t13-,18-,21? ICHCYPDHIPYINQ-DBUWMYATSA-N 113373 US10336717, Compound 553::US8633212, 553::US9212153, 553 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 34 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113373 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113373&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197609 199995089 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234862 CN1C(N)=NC2(C1=O)c1cc(CCC3CC3)ccc1O[C@@]21CC[C@@H](CC1)OC(F)F InChI=1S/C22H27F2N3O3/c1-27-18(28)22(26-20(27)25)16-12-14(5-4-13-2-3-13)6-7-17(16)30-21(22)10-8-15(9-11-21)29-19(23)24/h6-7,12-13,15,19H,2-5,8-11H2,1H3,(H2,25,26)/t15-,21+,22? XQRXLODONPIHDE-XPYIILQESA-N 113374 US10336717, Compound 555::US8633212, 555 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 149 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113374 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113374&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197544 199995090 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234863 CN1C(N)=NC2(C1=O)c1cc(ccc1O[C@@]21CC[C@@H](CC1)OC(F)F)-c1cccc(c1)C#N InChI=1S/C24H22F2N4O3/c1-30-20(31)24(29-22(30)28)18-12-16(15-4-2-3-14(11-15)13-27)5-6-19(18)33-23(24)9-7-17(8-10-23)32-21(25)26/h2-6,11-12,17,21H,7-10H2,1H3,(H2,28,29)/t17-,23+,24? HFSZJHSWIFCWEW-XUIKDURRSA-N 113375 US10336717, Compound 556::US8633212, 556 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 176.6 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113375 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113375&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58198063 199995091 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234864 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(Cc3ccnnc3)C2=O)C#CC2CC2)CC1 InChI=1S/C27H29N5O2/c1-34-22-8-11-26(12-9-22)15-21-7-6-19(5-4-18-2-3-18)14-23(21)27(26)24(33)32(25(28)31-27)17-20-10-13-29-30-16-20/h6-7,10,13-14,16,18,22H,2-3,8-9,11-12,15,17H2,1H3,(H2,28,31)/t22-,26-,27? NOCCLQWZTLJGMJ-JZGZJDTKSA-N 113376 US10336717, Compound 558::US8633212, 558::US9212153, 558 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 4079.50 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113376 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113376&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197761 199995092 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234865 CO[C@H]1CC[C@@]2(Cc3ccc(OCC(C)C)cc3C22N=C(N)N(CC(F)(F)F)C2=O)CC1 InChI=1S/C23H30F3N3O3/c1-14(2)12-32-17-5-4-15-11-21(8-6-16(31-3)7-9-21)23(18(15)10-17)19(30)29(20(27)28-23)13-22(24,25)26/h4-5,10,14,16H,6-9,11-13H2,1-3H3,(H2,27,28)/t16-,21-,23? VQCGWSYBCXNFMN-IPMGMPQXSA-N 113377 US10336717, Compound 561::US8633212, 561::US9212153, 561 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 11.7 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113377 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113377&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 46927255 199995093 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234866 CN1C(N)=N[C@]2(C1=O)c1ccccc1CC21CCc2ccccc2CC1 InChI=1S/C22H23N3O/c1-25-19(26)22(24-20(25)23)18-9-5-4-8-17(18)14-21(22)12-10-15-6-2-3-7-16(15)11-13-21/h2-9H,10-14H2,1H3,(H2,23,24)/t22-/m0/s1 NBARGRGEIIPREU-QFIPXVFZSA-N 113378 US8633212, 562::US9212153, 562 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 8052.00 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113378 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113378&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197419 199995094 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234867 CN1C(N)=N[C@@]2(C1=O)c1ccccc1CC21CCc2ccccc2CC1 InChI=1S/C22H23N3O/c1-25-19(26)22(24-20(25)23)18-9-5-4-8-17(18)14-21(22)12-10-15-6-2-3-7-16(15)11-13-21/h2-9H,10-14H2,1H3,(H2,23,24)/t22-/m1/s1 NBARGRGEIIPREU-JOCHJYFZSA-N 113379 US8633212, 563::US9212153, 563 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 168.7 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113379 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113379&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58198214 199995095 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234868 CN1C(N)=N[C@@]2(C1=O)c1cc(ccc1CC21CCc2ccccc2CC1)C#N InChI=1S/C23H22N4O/c1-27-20(28)23(26-21(27)25)19-12-15(14-24)6-7-18(19)13-22(23)10-8-16-4-2-3-5-17(16)9-11-22/h2-7,12H,8-11,13H2,1H3,(H2,25,26)/t23-/m1/s1 MPOLZICVBPURGF-HSZRJFAPSA-N 113380 US10336717, Compound 564::US8633212, 564::US9212153, 564 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 60 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113380 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113380&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197909 199995096 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234869 CN1C(N)=N[C@]2(C1=O)c1cc(ccc1CC21CCc2ccccc2CC1)C#N InChI=1S/C23H22N4O/c1-27-20(28)23(26-21(27)25)19-12-15(14-24)6-7-18(19)13-22(23)10-8-16-4-2-3-5-17(16)9-11-22/h2-7,12H,8-11,13H2,1H3,(H2,25,26)/t23-/m0/s1 MPOLZICVBPURGF-QHCPKHFHSA-N 113381 US10336717, Compound 565::US8633212, 565::US9212153, 565 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 1452.50 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113381 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113381&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197754 199995097 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234870 CO[C@H]1CC[C@@]2(Cc3ccc(OCC4CCC4)cc3C22N=C(N)N(CC(F)(F)F)C2=O)CC1 InChI=1S/C24H30F3N3O3/c1-32-17-7-9-22(10-8-17)12-16-5-6-18(33-13-15-3-2-4-15)11-19(16)24(22)20(31)30(21(28)29-24)14-23(25,26)27/h5-6,11,15,17H,2-4,7-10,12-14H2,1H3,(H2,28,29)/t17-,22-,24? POVPGAURIIGANI-PHNUFVJKSA-N 113382 US10336717, Compound 566::US8633212, 566::US9212153, 566 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 134.2 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113382 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113382&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197664 199995098 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234871 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(C(C)C)C2=O)-c2cc(cs2)C#N)CC1 InChI=1S/C25H28N4O2S/c1-15(2)29-22(30)25(28-23(29)27)20-11-17(21-10-16(13-26)14-32-21)4-5-18(20)12-24(25)8-6-19(31-3)7-9-24/h4-5,10-11,14-15,19H,6-9,12H2,1-3H3,(H2,27,28)/t19-,24-,25? DWCVWSFFWKCMJN-SSEMJGATSA-N 113383 US10336717, Compound 567::US8633212, 567::US9212153, 567 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 250.5 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113383 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113383&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197838 199995099 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234872 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(C(C)C)C2=O)-c2ccc(s2)C#N)CC1 InChI=1S/C25H28N4O2S/c1-15(2)29-22(30)25(28-23(29)27)20-12-16(21-7-6-19(14-26)32-21)4-5-17(20)13-24(25)10-8-18(31-3)9-11-24/h4-7,12,15,18H,8-11,13H2,1-3H3,(H2,27,28)/t18-,24-,25? NBKWLLVOPXTMDY-YLEAEUJISA-N 113384 US10336717, Compound 568::US8633212, 568::US9212153, 568 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 546.7 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113384 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113384&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197228 199995100 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234873 CN1C(N)=NC2(C1=O)c1cc(Br)ccc1CC21CNC1 InChI=1S/C14H15BrN4O/c1-19-11(20)14(18-12(19)16)10-4-9(15)3-2-8(10)5-13(14)6-17-7-13/h2-4,17H,5-7H2,1H3,(H2,16,18) IEZCOIFYPCGLTC-UHFFFAOYSA-N 113385 US10336717, Compound 570::US8633212, 570::US9212153, 570 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 13500 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113385 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113385&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58198300 199995101 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234874 COCCOc1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(N)N(C4CCC4)C3=O)c2c1 InChI=1S/C24H33N3O4/c1-29-12-13-31-19-7-6-16-15-23(10-8-18(30-2)9-11-23)24(20(16)14-19)21(28)27(22(25)26-24)17-4-3-5-17/h6-7,14,17-18H,3-5,8-13,15H2,1-2H3,(H2,25,26)/t18-,23-,24? QMAYKXLGRARHFK-SCRAKJMHSA-N 113386 US10336717, Compound 571::US8633212, 571::US9212153, 571 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 111.7 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113386 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113386&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197735 199995102 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234875 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(CCc3nccs3)C2=O)C#N)CC1 InChI=1S/C23H25N5O2S/c1-30-17-4-7-22(8-5-17)13-16-3-2-15(14-24)12-18(16)23(22)20(29)28(21(25)27-23)10-6-19-26-9-11-31-19/h2-3,9,11-12,17H,4-8,10,13H2,1H3,(H2,25,27)/t17-,22-,23? BZSMKDJXXLAPBP-DRXONWLQSA-N 113387 US10336717, Compound 573::US8633212, 573::US9212153, 573 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 57.9 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113387 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113387&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197511 199995103 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234876 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(N)N(CC3CCO3)C2=O)C#CC2CC2)CC1 InChI=1S/C26H31N3O3/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,2-3,8-13,15-16H2,1H3,(H2,27,28)/t20-,21?,25-,26-/m0/s1 AJGBQGCTFZZUBM-KWBZCYDOSA-N 113388 US10336717, Compound 574::US8633212, 574::US9212153, 574 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 78.6 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113388 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113388&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197343 199995104 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234877 CO[C@H]1CC[C@@]2(Cc3ccc(CN4CCC(F)(F)C4)cc3C22N=C(N)N(C)C2=O)CC1 InChI=1S/C23H30F2N4O2/c1-28-19(30)23(27-20(28)26)18-11-15(13-29-10-9-22(24,25)14-29)3-4-16(18)12-21(23)7-5-17(31-2)6-8-21/h3-4,11,17H,5-10,12-14H2,1-2H3,(H2,26,27)/t17-,21-,23? HFWGACLYQWKFLC-DOQZHRMPSA-N 113390 US10336717, Compound 576::US8633212, 576::US9212153, 576 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 108.3 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113390 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113390&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58198233 199995106 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234878 CO[C@H]1CC[C@@]2(Cc3ccc(Oc4ccccc4)cc3[C@@]22N=C(N)N(C)C2=O)CC1 InChI=1S/C24H27N3O3/c1-27-21(28)24(26-22(27)25)20-14-19(30-18-6-4-3-5-7-18)9-8-16(20)15-23(24)12-10-17(29-2)11-13-23/h3-9,14,17H,10-13,15H2,1-2H3,(H2,25,26)/t17-,23-,24-/m0/s1 DVSMPRORXNHICB-DPSWKAHMSA-N 113391 US10336717, Compound 577::US8633212, 577::US9212153, 577 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 247.6 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113391 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113391&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197470 199995107 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234879 CO[C@H]1CC[C@@]2(Cc3ccc(Oc4ccccc4)cc3[C@]22N=C(N)N(C)C2=O)CC1 InChI=1S/C24H27N3O3/c1-27-21(28)24(26-22(27)25)20-14-19(30-18-6-4-3-5-7-18)9-8-16(20)15-23(24)12-10-17(29-2)11-13-23/h3-9,14,17H,10-13,15H2,1-2H3,(H2,25,26)/t17-,23-,24-/m1/s1 DVSMPRORXNHICB-UOKFIYJESA-N 113392 US10336717, Compound 578::US8633212, 578::US9212153, 578 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 3.9 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113392 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113392&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197619 199995108 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234880 CO[C@H]1CC[C@@]2(Cc3ccc(Br)cc3[C@]22N=C(N)N(C)C2=O)CC1 InChI=1S/C18H22BrN3O2/c1-22-15(23)18(21-16(22)20)14-9-12(19)4-3-11(14)10-17(18)7-5-13(24-2)6-8-17/h3-4,9,13H,5-8,10H2,1-2H3,(H2,20,21)/t13-,17-,18-/m1/s1 RVLIRWFNCYASBC-FSPWUOQZSA-N 113393 US10336717, Compound 579::US8633212, 579::US9212153, 579 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 15.9 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113393 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113393&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197277 199995109 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234881 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-n2ccccc2=O)CC1 InChI=1S/C23H26N4O3/c1-26-20(29)23(25-21(26)24)18-13-16(27-12-4-3-5-19(27)28)7-6-15(18)14-22(23)10-8-17(30-2)9-11-22/h3-7,12-13,17H,8-11,14H2,1-2H3,(H2,24,25)/t17-,22-,23? CNRMICCPHFMZEF-DRXONWLQSA-N 113394 US10336717, Compound 582::US8633212, 582::US9212153, 582 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 457.9 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113394 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113394&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58198324 199995110 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234882 CN1C(N)=NC2(C1=O)c1cc(ccc1O[C@@]21CC[C@@H](CC1)OC(F)F)C#CC1CC1 InChI=1S/C22H23F2N3O3/c1-27-18(28)22(26-20(27)25)16-12-14(5-4-13-2-3-13)6-7-17(16)30-21(22)10-8-15(9-11-21)29-19(23)24/h6-7,12-13,15,19H,2-3,8-11H2,1H3,(H2,25,26)/t15-,21+,22? XJXUWJMKXRUYMJ-XPYIILQESA-N 113395 US10336717, Compound 583::US8633212, 583::US9212153, 583 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 267.8 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113395 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113395&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197622 199995111 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234883 CN1C(N)=NC2(C1=O)c1cc(Br)ccc1O[C@@]21CC[C@@H](CC1)OC(F)F InChI=1S/C17H18BrF2N3O3/c1-23-13(24)17(22-15(23)21)11-8-9(18)2-3-12(11)26-16(17)6-4-10(5-7-16)25-14(19)20/h2-3,8,10,14H,4-7H2,1H3,(H2,21,22)/t10-,16+,17? VEMKSWQLZBRLCK-NMWITXELSA-N 113396 US10336717, Compound 584::US8633212, 584::US9212153, 584 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 423.8 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113396 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113396&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197224 199995112 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234884 CO[C@H]1CC[C@@]2(Cc3ccc(Br)cc3[C@@]22N=C(N)N(CC(C)(C)O)C2=O)CC1 InChI=1S/C21H28BrN3O3/c1-19(2,27)12-25-17(26)21(24-18(25)23)16-10-14(22)5-4-13(16)11-20(21)8-6-15(28-3)7-9-20/h4-5,10,15,27H,6-9,11-12H2,1-3H3,(H2,23,24)/t15-,20-,21-/m0/s1 JSGJFFJENPMRRB-JHVJFLLYSA-N 113397 US10336717, Compound 585::US8633212, 585::US9212153, 585 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 4226.00 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113397 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113397&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58198225 199995113 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234885 CO[C@H]1CC[C@@]2(Cc3ccc(Br)cc3[C@@]22N=C(N)N(Cc3cnccn3)C2=O)CC1 InChI=1S/C22H24BrN5O2/c1-30-17-4-6-21(7-5-17)11-14-2-3-15(23)10-18(14)22(21)19(29)28(20(24)27-22)13-16-12-25-8-9-26-16/h2-3,8-10,12,17H,4-7,11,13H2,1H3,(H2,24,27)/t17-,21-,22-/m0/s1 ONUULUPXBVSNKR-HSQYWUDLSA-N 113398 US10336717, Compound 586::US8633212, 586::US9212153, 586 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 2119.00 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113398 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113398&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197451 199995114 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234886 CO[C@H]1CC[C@@]2(Cc3ccc(Br)cc3[C@@]22N=C(N)N([C@@H](C)CO)C2=O)CC1 InChI=1S/C20H26BrN3O3/c1-12(11-25)24-17(26)20(23-18(24)22)16-9-14(21)4-3-13(16)10-19(20)7-5-15(27-2)6-8-19/h3-4,9,12,15,25H,5-8,10-11H2,1-2H3,(H2,22,23)/t12-,15-,19-,20-/m0/s1 VLXKYDUKBZSTNJ-DRCLLSGRSA-N 113399 US10336717, Compound 587::US8633212, 587::US9212153, 587 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 13500.00 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113399 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113399&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197006 199995115 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234887 CO[C@H]1CC[C@@]2(Cc3ccc(Br)cc3[C@@]22N=C(N)N([C@H](C)CO)C2=O)CC1 InChI=1S/C20H26BrN3O3/c1-12(11-25)24-17(26)20(23-18(24)22)16-9-14(21)4-3-13(16)10-19(20)7-5-15(27-2)6-8-19/h3-4,9,12,15,25H,5-8,10-11H2,1-2H3,(H2,22,23)/t12-,15-,19-,20+/m1/s1 VLXKYDUKBZSTNJ-USHFMXFJSA-N 113400 US10336717, Compound 588::US8633212, 588::US9212153, 588 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 19370.00 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113400 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113400&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58198334 199995116 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234888 CO[C@H]1CC[C@@]2(Cc3ccc(Br)cc3[C@@]22N=C(N)N(C)C2=O)CC1 InChI=1S/C18H22BrN3O2/c1-22-15(23)18(21-16(22)20)14-9-12(19)4-3-11(14)10-17(18)7-5-13(24-2)6-8-17/h3-4,9,13H,5-8,10H2,1-2H3,(H2,20,21)/t13-,17-,18-/m0/s1 RVLIRWFNCYASBC-KKXDTOCCSA-N 113401 US10336717, Compound 589::US8633212, 589::US9212153, 589 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 4509.30 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113401 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113401&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58198354 199995117 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234889 CO[C@H]1CC[C@@]2(Cc3ccc(Oc4cccc(c4)C#N)cc3C22N=C(N)N(C)C2=O)CC1 InChI=1S/C25H26N4O3/c1-29-22(30)25(28-23(29)27)21-13-20(32-19-5-3-4-16(12-19)15-26)7-6-17(21)14-24(25)10-8-18(31-2)9-11-24/h3-7,12-13,18H,8-11,14H2,1-2H3,(H2,27,28)/t18-,24-,25? SUNVORRTVBIPAO-YLEAEUJISA-N 113402 US8633212, 592::US9212153, 592 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 7 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113402 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113402&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197556 199995118 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234890 CO[C@H]1CC[C@@]2(Cc3ccc(Oc4cc(Cl)cc(Cl)c4)cc3C22N=C(N)N(C)C2=O)CC1 InChI=1S/C24H25Cl2N3O3/c1-29-21(30)24(28-22(29)27)20-12-18(32-19-10-15(25)9-16(26)11-19)4-3-14(20)13-23(24)7-5-17(31-2)6-8-23/h3-4,9-12,17H,5-8,13H2,1-2H3,(H2,27,28)/t17-,23-,24? OEHJJGOVWRTDDR-CNCCVMFFSA-N 113403 US10336717, Compound 593::US8633212, 593::US9212153, 593 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 6 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113403 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113403&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197796 199995119 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234891 CO[C@H]1CC[C@@]2(Cc3ccc(Oc4cccc(Cl)c4)cc3C22ON(C)C(N)=N2)CC1 InChI=1S/C23H26ClN3O3/c1-27-21(25)26-23(30-27)20-13-19(29-18-5-3-4-16(24)12-18)7-6-15(20)14-22(23)10-8-17(28-2)9-11-22/h3-7,12-13,17H,8-11,14H2,1-2H3,(H2,25,26)/t17-,22-,23? RQFFEBUTFXUCGY-DRXONWLQSA-N 113404 US10336717, Compound 594::US8633212, 594::US9212153, 594 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 99 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113404 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113404&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197059 199995120 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234892 CO[C@H]1CC[C@@]2(Cc3ccc(Oc4ccc(Cl)cc4)cc3C22ON(C)C(N)=N2)CC1 InChI=1S/C23H26ClN3O3/c1-27-21(25)26-23(30-27)20-13-19(29-18-7-4-16(24)5-8-18)6-3-15(20)14-22(23)11-9-17(28-2)10-12-22/h3-8,13,17H,9-12,14H2,1-2H3,(H2,25,26)/t17-,22-,23? XLPXZQXOEIJBPP-DRXONWLQSA-N 113405 US10336717, Compound 595::US8633212, 595::US9212153, 595 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 105 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113405 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113405&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58196994 199995121 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234893 CCCO[C@H]1CC[C@@]2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cccc(OC)c2)CC1 InChI=1S/C26H33N3O3/c1-4-14-31-21-10-12-25(13-11-21)17-20-9-8-19(18-6-5-7-22(15-18)30-3)16-23(20)26(25)28-24(27)29(2)32-26/h5-9,15-16,21H,4,10-14,17H2,1-3H3,(H2,27,28)/t21-,25-,26? OFEDQRWRYMWBRF-AHQGXOPPSA-N 113406 US10336717, Compound 596::US8633212, 596::US9212153, 596 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 455 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113406 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113406&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197417 199995122 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234894 CCO[C@H]1CC[C@@]2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cccc(OC)c2)CC1 InChI=1S/C25H31N3O3/c1-4-30-20-10-12-24(13-11-20)16-19-9-8-18(17-6-5-7-21(14-17)29-3)15-22(19)25(24)27-23(26)28(2)31-25/h5-9,14-15,20H,4,10-13,16H2,1-3H3,(H2,26,27)/t20-,24-,25? QAEMRDPFYVFBTI-QXONTCKQSA-N 113407 US10336717, Compound 597::US8633212, 597::US9212153, 597 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 86 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113407 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113407&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197330 199995123 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234895 CCO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cccc(OC)c2)CC1 InChI=1S/C26H31N3O3/c1-4-32-20-10-12-25(13-11-20)16-19-9-8-18(17-6-5-7-21(14-17)31-3)15-22(19)26(25)23(30)29(2)24(27)28-26/h5-9,14-15,20H,4,10-13,16H2,1-3H3,(H2,27,28)/t20-,25-,26? MYXJWEOTNCACCL-QPYJLFMVSA-N 113408 US10336717, Compound 598::US8633212, 598::US9212153, 598 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 15 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113408 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113408&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58198110 199995124 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234896 CO[C@H]1CC[C@@]2(Cc3ccc(OCC(C)C)cc3C22N=C(N)N(C(C)C)C2=O)CC1 InChI=1S/C24H35N3O3/c1-15(2)14-30-19-7-6-17-13-23(10-8-18(29-5)9-11-23)24(20(17)12-19)21(28)27(16(3)4)22(25)26-24/h6-7,12,15-16,18H,8-11,13-14H2,1-5H3,(H2,25,26)/t18-,23-,24? LTMUEZYTIQZCGM-SCRAKJMHSA-N 113409 US10336717, Compound 599::US8633212, 599::US9212153, 599 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 12 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113409 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113409&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197437 199995125 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234897 CO[C@H]1CC[C@@]2(Cc3ccc(OCCOC(C)C)cc3C22N=C(N)N(C(C)C)C2=O)CC1 InChI=1S/C25H37N3O4/c1-16(2)28-22(29)25(27-23(28)26)21-14-20(32-13-12-31-17(3)4)7-6-18(21)15-24(25)10-8-19(30-5)9-11-24/h6-7,14,16-17,19H,8-13,15H2,1-5H3,(H2,26,27)/t19-,24-,25? QLWKSBXAUZOZAO-SSEMJGATSA-N 113410 US10336717, Compound 600::US8633212, 600::US9212153, 600 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 390 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113410 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113410&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58198351 199995126 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234898 COCCCO[C@H]1CC[C@@]2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cccc(OC)c2)CC1 InChI=1S/C27H35N3O4/c1-30-25(28)29-27(34-30)24-17-20(19-6-4-7-23(16-19)32-3)8-9-21(24)18-26(27)12-10-22(11-13-26)33-15-5-14-31-2/h4,6-9,16-17,22H,5,10-15,18H2,1-3H3,(H2,28,29)/t22-,26-,27? RYYVKIQCTNVSSO-JZGZJDTKSA-N 113411 US10336717, Compound 601::US8633212, 601::US9212153, 601 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 293 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113411 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113411&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197462 199995127 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234899 COCCCOc1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(N)N(CC(F)F)C3=O)c2c1 InChI=1S/C23H31F2N3O4/c1-30-10-3-11-32-17-5-4-15-13-22(8-6-16(31-2)7-9-22)23(18(15)12-17)20(29)28(14-19(24)25)21(26)27-23/h4-5,12,16,19H,3,6-11,13-14H2,1-2H3,(H2,26,27)/t16-,22-,23? HXQCUHMWCSOTLT-PODMFDMMSA-N 113412 US10336717, Compound 602::US8633212, 602::US9212153, 602 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 6.2 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113412 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113412&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197084 199995128 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234900 CCOCCCc1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(N)N(CC(F)F)C3=O)c2c1 InChI=1S/C24H33F2N3O3/c1-3-32-12-4-5-16-6-7-17-14-23(10-8-18(31-2)9-11-23)24(19(17)13-16)21(30)29(15-20(25)26)22(27)28-24/h6-7,13,18,20H,3-5,8-12,14-15H2,1-2H3,(H2,27,28)/t18-,23-,24? ZYNCNABWUAMIEC-SCRAKJMHSA-N 113413 US10336717, Compound 603::US8633212, 603::US9212153, 603 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 102 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113413 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113413&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197308 199995129 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234901 CO[C@H]1CC[C@@]2(Cc3ccc(OCC4CCCO4)cc3C22N=C(N)N(CC(F)F)C2=O)CC1 InChI=1S/C24H31F2N3O4/c1-31-16-6-8-23(9-7-16)12-15-4-5-17(33-14-18-3-2-10-32-18)11-19(15)24(23)21(30)29(13-20(25)26)22(27)28-24/h4-5,11,16,18,20H,2-3,6-10,12-14H2,1H3,(H2,27,28)/t16-,18?,23-,24? VLBDIXRLEBZXHA-BRARJBDMSA-N 113414 US10336717, Compound 604::US8633212, 604::US9212153, 604 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 31 US Patent 10.7270/Q2V123D3 aid1800318 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113414 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113414&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197956 199995130 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234902 CN1OC2(N=C1N)c1cc(ccc1CC21CCc2ccccc2CC1)-c1cc(Cl)cc(c1)C#N InChI=1S/C28H25ClN4O/c1-33-26(31)32-28(34-33)25-15-21(23-12-18(17-30)13-24(29)14-23)6-7-22(25)16-27(28)10-8-19-4-2-3-5-20(19)9-11-27/h2-7,12-15H,8-11,16H2,1H3,(H2,31,32) BSLOJIAKFHBYMO-UHFFFAOYSA-N 113232 US10336717, Compound 10::US8633212, 10::US9212153, 10 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 7.4 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113232 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113232&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58198052 199994948 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 234903 COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cccc(OC(F)(F)F)c2)CC1 InChI=1S/C25H26F3N3O3/c1-31-21(32)24(30-22(31)29)20-13-16(15-4-3-5-19(12-15)34-25(26,27)28)6-7-17(20)14-23(24)10-8-18(33-2)9-11-23/h3-7,12-13,18H,8-11,14H2,1-2H3,(H2,29,30) VHHZRPNETISLDL-UHFFFAOYSA-N 113233 US10336717, Compound 11::US8633212, 11 Isoform C of Beta-secretase 1 (BACE-I-457) Homo sapiens 7.8 4.5 25.00 C US Patent 10.7270/Q2V123D3 aid1800317 US8633212 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113233 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5986&target=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113233&enzyme=Isoform+C+of+Beta-secretase+1+%28BACE-I-457%29&column=ki&startPg=0&Increment=50&submit=Search 58197776 199994949 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK 2HM1,2IQG,2VA5,2VA6,2VA7,3BRA,3BUF,3BUG,3BUH,3IVH,3IVI,3N4L,3NSH,3ZMG,3ZOV,4BEK,4BFD,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4J0P,4J0T,4J0V,4J0Y,4J0Z,4J17,4J1C,4J1E,4J1F,4J1H,4J1I,4J1K,4JOO,4JP9,4JPC,4JPE,4LC7,4N00,4PZW,4PZX,4R5N,4RRN,4RRO,4RRS,5MCO Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1