target,target_id,target_uniprot,target_species,ligand,ligand_id,ligand_species,ligand_pubchem_cid,smiles,inchi,inchikey,type,action,action_comment,endogenous,primary_target,concentration_range,affinity_parameter,affinity_high,affinity_median,affinity_low,original_affinity_units,original_affinity_low_nm,original_affinity_median_nm,original_affinity_high_nm,original_affinity_relation,assay_description,receptor_site,ligand_context,pubmed_id beta-secretase 1,2330,P56817,Human,LY2886721,6475,,49837968,Fc1ccc(nc1)C(=O)Nc1ccc(c(c1)[C@@]12COC[C@H]2CSC(=N1)N)F,"InChI=1S/C18H16F2N4O2S/c19-11-1-4-15(22-6-11)16(25)23-12-2-3-14(20)13(5-12)18-9-26-7-10(18)8-27-17(21)24-18/h1-6,10H,7-9H2,(H2,21,24)(H,23,25)/t10-,18-/m0/s1",NIDRNVHMMDAAIK-YPMLDQLKSA-N,Inhibitor,Competitive,,,yes,,pIC50,,7.7,,IC50,,20.3,,=,,,,, beta-secretase 1,2330,P56817,Human,AZD3839,6931,,60210951,FC(c1nccc(c1)[C@@]1(NC(c2c1cccc2F)N)c1cccc(c1)c1cncnc1)F,"InChI=1S/C24H18F3N5/c25-19-6-2-5-18-21(19)23(28)32-24(18,17-7-8-31-20(10-17)22(26)27)16-4-1-3-14(9-16)15-11-29-13-30-12-15/h1-13,22-23,32H,28H2/t23?,24-/m0/s1",QXKYWSDUVAJHNZ-CGAIIQECSA-N,Inhibitor,Competitive,,,yes,,pKi,,7.58,,Ki,,26.1,,=,,,,23048024, beta-secretase 1,2330,P56817,Human,LY2811376,6936,,44251605,NC1=N[C@](CCS1)(C)c1cc(c2cncnc2)c(cc1F)F,"InChI=1S/C15H14F2N4S/c1-15(2-3-22-14(18)21-15)11-4-10(12(16)5-13(11)17)9-6-19-8-20-7-9/h4-8H,2-3H2,1H3,(H2,18,21)/t15-/m0/s1",MJQMRGWYPNIERM-HNNXBMFYSA-N,Inhibitor,Competitive,,,yes,,pIC50,,6.62,,IC50,,239.0,,=,,,,22090477, beta-secretase 1,2330,P56817,Human,AZ-4217,6939,,57406537,CC#Cc1cncc(c1)c1cccc(c1)[C@]1(N=C(c2c1cccc2F)N)c1cc(C)c(=O)n(c1)CC,"InChI=1S/C30H25FN4O/c1-4-8-20-14-22(17-33-16-20)21-9-6-10-23(15-21)30(24-13-19(3)29(36)35(5-2)18-24)25-11-7-12-26(31)27(25)28(32)34-30/h6-7,9-18H,5H2,1-3H3,(H2,32,34)/t30-/m0/s1",TUGLMYZSOPKJOA-PMERELPUSA-N,Inhibitor,Competitive,,,yes,,pKi,,8.74,,Ki,,1.8,,=,,,,23761903, beta-secretase 1,2330,P56817,Human,TAK-070,6940,,10112962,CN(CC[C@@H]1CCc2c(C1)ccc(c2)OCc1ccc(cc1)c1ccccc1)C,"InChI=1S/C27H31NO/c1-28(2)17-16-21-8-13-26-19-27(15-14-25(26)18-21)29-20-22-9-11-24(12-10-22)23-6-4-3-5-7-23/h3-7,9-12,14-15,19,21H,8,13,16-18,20H2,1-2H3/t21-/m0/s1",SETMAZMOXYOEJA-NRFANRHFSA-N,Inhibitor,Non-competitive,,,yes,,pKi,,4.72,,Ki,,19000.0,,=,,,,20720123, beta-secretase 1,2330,P56817,Human,oxazine 89,6944,,71305058,N#Cc1ccc(nc1)C(=O)Nc1ccc(c(c1)[C@@]1(C)N=C(N)O[C@@H](C1)C(F)(F)F)F,"InChI=1S/C19H15F4N5O2/c1-18(7-15(19(21,22)23)30-17(25)28-18)12-6-11(3-4-13(12)20)27-16(29)14-5-2-10(8-24)9-26-14/h2-6,9,15H,7H2,1H3,(H2,25,28)(H,27,29)/t15-,18-/m0/s1",MELQHVBGGSKVJQ-YJBOKZPZSA-N,Inhibitor,Competitive,,,yes,,pIC50,,7.92,,IC50,,12.0,,=,,,,23590342, beta-secretase 1,2330,P56817,Human,compound 11d [PMID: 23981898],6946,,51003469,COC[C@H](C(F)(F)F)Oc1cc(C[C@@H]2C[S@@](=O)C[C@@H]([C@H]2O)NCc2cccc(c2)C(C)(C)C)cc(c1N)F,"InChI=1S/C27H36F4N2O4S/c1-26(2,3)19-7-5-6-16(9-19)12-33-21-15-38(35)14-18(25(21)34)8-17-10-20(28)24(32)22(11-17)37-23(13-36-4)27(29,30)31/h5-7,9-11,18,21,23,25,33-34H,8,12-15,32H2,1-4H3/t18-,21+,23-,25+,38-/m1/s1",FIUDDEQHPBHZBI-XPLIUGCLSA-N,Inhibitor,Competitive,,,yes,,pIC50,,8.4,,IC50,,4.0,,=,,,,23981898, beta-secretase 1,2330,P56817,Human,compound 2 [PMID: 22911925],6950,,60202321,CO[C@@H](C(=O)N[C@H]([C@@H](CN[C@H]1CC2(CCC2)Oc2c1cc(cn2)CC(C)(C)C)O)Cc1cccc(c1)c1nccs1)C,"InChI=1S/C33H44N4O4S/c1-21(40-5)29(39)37-26(16-22-8-6-9-24(14-22)31-34-12-13-42-31)28(38)20-35-27-18-33(10-7-11-33)41-30-25(27)15-23(19-36-30)17-32(2,3)4/h6,8-9,12-15,19,21,26-28,35,38H,7,10-11,16-18,20H2,1-5H3,(H,37,39)/t21-,26+,27+,28-/m1/s1",IUSARDYWEPUTPN-OZBXUNDUSA-N,Inhibitor,Competitive,,,yes,,pIC50,,8.26,,IC50,,5.5,,=,,,,22911925, beta-secretase 1,2330,P56817,Human,lanabecestat,7789,,67979346,CC#Cc1cncc(c1)c1ccc2c(c1)[C@]1(N=C(C(=N1)C)N)C1(C2)CCC(CC1)OC,"InChI=1S/C26H28N4O/c1-4-5-18-12-21(16-28-15-18)19-6-7-20-14-25(10-8-22(31-3)9-11-25)26(23(20)13-19)29-17(2)24(27)30-26/h6-7,12-13,15-16,22H,8-11,14H2,1-3H3,(H2,27,30)/t22?,25?,26-/m0/s1",WKDNQONLGXOZRG-BOPKNSRXSA-N,Inhibitor,Competitive,,,yes,,pIC50,,8.66,,IC50,,2.2,,=,,,,24900397, beta-secretase 1,2330,P56817,Human,AZ3971,7804,,49858172,COc1c(C)cc(cc1C)[C@@]1(N=C(c2c1nccn2)N)c1cccc(c1)c1cncnc1,"InChI=1S/C25H22N6O/c1-15-9-20(10-16(2)22(15)32-3)25(23-21(24(26)31-25)29-7-8-30-23)19-6-4-5-17(11-19)18-12-27-14-28-13-18/h4-14H,1-3H3,(H2,26,31)/t25-/m0/s1",BICGYFRWDDPYEI-VWLOTQADSA-N,Inhibitor,Competitive,,,yes,,pIC50,,7.52,,IC50,,30.0,,=,,,,, beta-secretase 1,2330,P56817,Human,example 2 [WO2013004676],7852,,71202307,Clc1ccc(nc1)C(=O)Nc1ccc(c(c1)[C@]12N=C(N)SCC[C@@H]2C1)F,"InChI=1S/C18H16ClFN4OS/c19-11-1-4-15(22-9-11)16(25)23-12-2-3-14(20)13(7-12)18-8-10(18)5-6-26-17(21)24-18/h1-4,7,9-10H,5-6,8H2,(H2,21,24)(H,23,25)/t10-,18+/m1/s1",COCAUCFPFHUGAA-MGNBDDOMSA-N,Inhibitor,Inhibition,,,yes,,pIC50,,7.59,,IC50,,26.0,,=,,,,24900681, beta-secretase 1,2330,P56817,Human,compound J [PMID: 21907142],7854,,50938551,Clc1ccc(nc1)C(=O)Nc1ccc(c(c1)[C@]1(C)CCSC(=N1)N)F,"InChI=1S/C17H16ClFN4OS/c1-17(6-7-25-16(20)23-17)12-8-11(3-4-13(12)19)22-15(24)14-5-2-10(18)9-21-14/h2-5,8-9H,6-7H2,1H3,(H2,20,23)(H,22,24)/t17-/m0/s1",VVZZZUNCWSTIOI-KRWDZBQOSA-N,Inhibitor,Inhibition,,,,,pIC50,,7.74,,IC50,,18.0,,=,,,,21907142, beta-secretase 1,2330,P56817,Human,compound 13 [PMID: 23412139],8399,,23627211,CC#Cc1cncc(c1)c1csc(c1)[C@]1(C)CC(=O)N(C(=N1)N)C,"InChI=1S/C18H18N4OS/c1-4-5-12-6-13(10-20-9-12)14-7-15(24-11-14)18(2)8-16(23)22(3)17(19)21-18/h6-7,9-11H,8H2,1-3H3,(H2,19,21)/t18-/m0/s1",IKFZEHQGULJMKI-SFHVURJKSA-N,Inhibitor,Inhibition,,,yes,,pKi,,8.11,,Ki,,7.8,,=,,,,23412139, beta-secretase 1,2330,P56817,Human,compound 16 [PMID: 23412139],8698,,66575082,CC#Cc1cncc(c1)c1cc(c(s1)[C@]1(C)CC(=O)N(C(=N1)N)C)Cl,"InChI=1S/C18H17ClN4OS/c1-4-5-11-6-12(10-21-9-11)14-7-13(19)16(25-14)18(2)8-15(24)23(3)17(20)22-18/h6-7,9-10H,8H2,1-3H3,(H2,20,22)/t18-/m0/s1",IJYPXSRDUPWKPB-SFHVURJKSA-N,Inhibitor,Competitive,,,yes,,pKi,,8.77,,Ki,,1.7,,=,,,,23412139, beta-secretase 1,2330,P56817,Human,verubecestat,8699,,51352361,Fc1ccc(nc1)C(=O)Nc1ccc(c(c1)[C@@]1(C)N=C(N)N(S(=O)(=O)C1)C)F,"InChI=1S/C17H17F2N5O3S/c1-17(9-28(26,27)24(2)16(20)23-17)12-7-11(4-5-13(12)19)22-15(25)14-6-3-10(18)8-21-14/h3-8H,9H2,1-2H3,(H2,20,23)(H,22,25)/t17-/m0/s1",YHYKUSGACIYRML-KRWDZBQOSA-N,Inhibitor,Competitive,,,,,pKi,,9.47,,Ki,,0.34,,=,BInding affinity determined in a competitive radioligand binding assay using the nonselective BACE1/2 inhibitor [3H] JNJ-962,,,34553947, beta-secretase 1,2330,P56817,Human,verubecestat,8699,,51352361,Fc1ccc(nc1)C(=O)Nc1ccc(c(c1)[C@@]1(C)N=C(N)N(S(=O)(=O)C1)C)F,"InChI=1S/C17H17F2N5O3S/c1-17(9-28(26,27)24(2)16(20)23-17)12-7-11(4-5-13(12)19)22-15(25)14-6-3-10(18)8-21-14/h3-8H,9H2,1-2H3,(H2,20,23)(H,22,25)/t17-/m0/s1",YHYKUSGACIYRML-KRWDZBQOSA-N,Inhibitor,Competitive,,,yes,,pKi,,8.76,,Ki,,1.753,,=,,,,, beta-secretase 1,2330,P56817,Human,compound 9 [PMID: 26937601],9197,,44467360,COc1nc(nc(c1F)C)N1C[C@@H]2[C@](C1)(N=C(N(C2=O)C)N)c1ccc(cc1F)F,"InChI=1S/C19H19F3N6O2/c1-9-14(22)15(30-3)25-18(24-9)28-7-12-16(29)27(2)17(23)26-19(12,8-28)11-5-4-10(20)6-13(11)21/h4-6,12H,7-8H2,1-3H3,(H2,23,26)/t12-,19+/m0/s1",FNMJFZYRSQTKIH-HXPMCKFVSA-N,Inhibitor,Inhibition,,,,,pKi,,8.3,,Ki,,5.0,,=,Inhibition of recombinant hBACE1 by FRET assay; substrate QSY7EISEVNLDAEFC-Eu-amide,,,26937601, beta-secretase 1,2330,P56817,Human,AMG-8718,9639,,45254510,NC1=N[C@]2(CO1)c1cc(C#CC3(C)COC3)cnc1Oc1c2cc(cc1)c1cccnc1F,"InChI=1S/C25H19FN4O3/c1-24(12-31-13-24)7-6-15-9-19-22(29-11-15)33-20-5-4-16(17-3-2-8-28-21(17)26)10-18(20)25(19)14-32-23(27)30-25/h2-5,8-11H,12-14H2,1H3,(H2,27,30)/t25-/m0/s1",GKKFBOARESVMBW-VWLOTQADSA-N,Inhibitor,Inhibition,,,yes,,pIC50,,9.15,,IC50,,0.7,,=,,,,25363711, beta-secretase 1,2330,P56817,Human,elenbecestat,9818,,57827330,C[C@H]1OC[C@]2([C@@H]1CSC(=N2)N)c1cc(ccc1F)NC(=O)c1cnc(cn1)C(F)F,"InChI=1S/C19H18F3N5O2S/c1-9-12-7-30-18(23)27-19(12,8-29-9)11-4-10(2-3-13(11)20)26-17(28)15-6-24-14(5-25-15)16(21)22/h2-6,9,12,16H,7-8H2,1H3,(H2,23,27)(H,26,28)/t9-,12-,19-/m1/s1",AACUJFVOHGRMTR-DPXNYUHVSA-N,Inhibitor,Inhibition,,,yes,,pIC50,,8.15,,IC50,,7.0,,=,,,,, beta-secretase 1,2330,P56817,Human,RO5508887,9821,,53241828,N#Cc1ccc(nc1)C(=O)Nc1ccc(c(c1)[C@@]1(C)N=C(N)OCC1(F)F)F,"InChI=1S/C18H14F3N5O2/c1-17(18(20,21)9-28-16(23)26-17)12-6-11(3-4-13(12)19)25-15(27)14-5-2-10(7-22)8-24-14/h2-6,8H,9H2,1H3,(H2,23,26)(H,25,27)/t17-/m1/s1",DVMUZHLUMHPCGZ-QGZVFWFLSA-N,Inhibitor,Inhibition,,,yes,,pIC50,,7.52,,IC50,,30.0,,=,,,,25164658, beta-secretase 1,2330,P56817,Human,NB-360,9822,,66665322,N#Cc1cnc(c(c1)C)C(=O)Nc1ccc(c(c1)[C@]1(C)CO[C@@](C(=N1)N)(C)C(F)(F)F)F,"InChI=1S/C21H19F4N5O2/c1-11-6-12(8-26)9-28-16(11)17(31)29-13-4-5-15(22)14(7-13)19(2)10-32-20(3,18(27)30-19)21(23,24)25/h4-7,9H,10H2,1-3H3,(H2,27,30)(H,29,31)/t19-,20+/m0/s1",BQFHTVUWPJXLOW-VQTJNVASSA-N,Inhibitor,Inhibition,,,yes,,pIC50,,8.3,,IC50,,5.0,,=,,,,26336937, beta-secretase 1,2330,P56817,Human,Compound 12 [PMID:28626832],9823,,52108499,CN(c1nc(nc2c1cccc2)N1CCCC1)C,"InChI=1S/C14H18N4/c1-17(2)13-11-7-3-4-8-12(11)15-14(16-13)18-9-5-6-10-18/h3-4,7-8H,5-6,9-10H2,1-2H3",VONNLDQOEHSECV-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,3.3,,IC50,,500000.0,,=,,,,28626832, beta-secretase 1,2330,P56817,Human,PF-06684511,9831,,59053926,FC[C@H]1OC[C@]2([C@@H]1CSC(=N2)N)c1cc(ccc1F)NC(=O)c1cnc(cn1)OC,"InChI=1S/C19H19F2N5O3S/c1-28-16-7-23-14(6-24-16)17(27)25-10-2-3-13(21)11(4-10)19-9-29-15(5-20)12(19)8-30-18(22)26-19/h2-4,6-7,12,15H,5,8-9H2,1H3,(H2,22,26)(H,25,27)/t12-,15-,19-/m1/s1",YZXTXNWZTAVDKH-KPAZRMRSSA-N,Inhibitor,Inhibition,,,yes,,pIC50,,9.15,,IC50,,0.7,,=,,,,29356535, beta-secretase 1,2330,P56817,Human,PF-06751979,9943,,118435422,FC(Oc1ccc(nc1)C(=O)Nc1csc(n1)[C@@]12CO[C@H](C[C@H]2CSC(=N1)NC(=O)c1ccccc1)C)F,"InChI=1S/C25H23F2N5O4S2/c1-14-9-16-11-38-24(31-20(33)15-5-3-2-4-6-15)32-25(16,13-35-14)22-30-19(12-37-22)29-21(34)18-8-7-17(10-28-18)36-23(26)27/h2-8,10,12,14,16,23H,9,11,13H2,1H3,(H,29,34)(H,31,32,33)/t14-,16-,25-/m0/s1",JQUCWIWWWKZNCS-LESHARBVSA-N,Inhibitor,Inhibition,,,,,pIC50,,8.14,,IC50,,7.3,,=,,,,29613789, beta-secretase 1,2330,P56817,Human,atabecestat,9963,,68254185,N#Cc1ccc(nc1)C(=O)Nc1ccc(c(c1)[C@]1(C)C=CSC(=N1)N)F,"InChI=1S/C18H14FN5OS/c1-18(6-7-26-17(21)24-18)13-8-12(3-4-14(13)19)23-16(25)15-5-2-11(9-20)10-22-15/h2-8,10H,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1",VLLFGVHGKLDDLW-SFHVURJKSA-N,Inhibitor,Inhibition,,,,,pIC50,,8.01,,IC50,,9.8,,=,,,,, beta-secretase 1,2330,P56817,Human,atabecestat,9963,,68254185,N#Cc1ccc(nc1)C(=O)Nc1ccc(c(c1)[C@]1(C)C=CSC(=N1)N)F,"InChI=1S/C18H14FN5OS/c1-18(6-7-26-17(21)24-18)13-8-12(3-4-14(13)19)23-16(25)15-5-2-11(9-20)10-22-15/h2-8,10H,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1",VLLFGVHGKLDDLW-SFHVURJKSA-N,Inhibitor,Inhibition,,,,,pKi,,9.1,,Ki,,0.8,,=,BInding affinity determined in a competitive radioligand binding assay using the nonselective BACE1/2 inhibitor [3H] JNJ-962,,,34553947, beta-secretase 1,2330,P56817,Human,compound 15 [PMID: 25699151],9982,,67436561,NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c2cc(nc1F)C1=CCCOC1)c1ncccc1F,"InChI=1S/C24H18F2N4O3/c25-17-4-1-7-28-20(17)13-5-6-19-15(9-13)24(12-32-23(27)30-24)16-10-18(14-3-2-8-31-11-14)29-22(26)21(16)33-19/h1,3-7,9-10H,2,8,11-12H2,(H2,27,30)/t24-/m0/s1",HGRWHBQLRXWSLV-DEOSSOPVSA-N,Inhibitor,Inhibition,,,yes,,pIC50,,9.52,,IC50,,0.3,,=,,,,25699151, beta-secretase 1,2330,P56817,Human,compound 3l [PMID: 30637955],10394,,117961403,Cc1cc(cc(c1)C(=O)N([C@@H](c1ccccc1)C)C)C(=O)N[C@H]([C@@H](CNCc1cccc(c1)C(F)(F)F)O)Cc1ccccc1,"InChI=1S/C36H38F3N3O3/c1-24-17-29(21-30(18-24)35(45)42(3)25(2)28-14-8-5-9-15-28)34(44)41-32(20-26-11-6-4-7-12-26)33(43)23-40-22-27-13-10-16-31(19-27)36(37,38)39/h4-19,21,25,32-33,40,43H,20,22-23H2,1-3H3,(H,41,44)/t25-,32+,33-/m1/s1",KQGVKXJLEHXBDS-CBHGIOBQSA-N,Inhibitor,Inhibition,,,,,pKi,,6.09,,Ki,,815.1,,=,,,,30637955, beta-secretase 1,2330,P56817,Human,AM-6494,10520,,118866105,C#CCOc1ncc(nc1)C(=O)Nc1cc(F)c(c(c1)[C@@]1(C)N=C(N)S[C@@]2([C@H]1C2)COC)F,"InChI=1S/C22H21F2N5O3S/c1-4-5-32-17-10-26-15(9-27-17)19(30)28-12-6-13(18(24)14(23)7-12)21(2)16-8-22(16,11-31-3)33-20(25)29-21/h1,6-7,9-10,16H,5,8,11H2,2-3H3,(H2,25,29)(H,28,30)/t16-,21+,22+/m0/s1",IPUJINDWAGRAHN-KNXBSLHKSA-N,Inhibitor,Inhibition,,,,,pIC50,,9.4,,IC50,,0.4,,=,,,,31589043, beta-secretase 1,2330,P56818,Mouse,AM-6494,10520,,118866105,C#CCOc1ncc(nc1)C(=O)Nc1cc(F)c(c(c1)[C@@]1(C)N=C(N)S[C@@]2([C@H]1C2)COC)F,"InChI=1S/C22H21F2N5O3S/c1-4-5-32-17-10-26-15(9-27-17)19(30)28-12-6-13(18(24)14(23)7-12)21(2)16-8-22(16,11-31-3)33-20(25)29-21/h1,6-7,9-10,16H,5,8,11H2,2-3H3,(H2,25,29)(H,28,30)/t16-,21+,22+/m0/s1",IPUJINDWAGRAHN-KNXBSLHKSA-N,Inhibitor,Inhibition,,,,,pIC50,,9.44,,IC50,,0.36,,=,,,,31589043, beta-secretase 1,2330,P56819,Rat,AM-6494,10520,,118866105,C#CCOc1ncc(nc1)C(=O)Nc1cc(F)c(c(c1)[C@@]1(C)N=C(N)S[C@@]2([C@H]1C2)COC)F,"InChI=1S/C22H21F2N5O3S/c1-4-5-32-17-10-26-15(9-27-17)19(30)28-12-6-13(18(24)14(23)7-12)21(2)16-8-22(16,11-31-3)33-20(25)29-21/h1,6-7,9-10,16H,5,8,11H2,2-3H3,(H2,25,29)(H,28,30)/t16-,21+,22+/m0/s1",IPUJINDWAGRAHN-KNXBSLHKSA-N,Inhibitor,Inhibition,,,,,pIC50,,9.21,,IC50,,0.62,,=,,,,31589043, beta-secretase 1,2330,P56817,Human,LY3202626,11557,,78210254,COc1c[n]c(c[n]1)C(=O)Nc1ccc(c(c1)[C@]12N=C(N)SC[C@@H]2CN(C1)c1[n]cc(c[n]1)F)F,"InChI=1S/C22H20F2N8O2S/c1-34-18-8-26-17(7-27-18)19(33)30-14-2-3-16(24)15(4-14)22-11-32(21-28-5-13(23)6-29-21)9-12(22)10-35-20(25)31-22/h2-8,12H,9-11H2,1H3,(H2,25,31)(H,30,33)/t12-,22-/m0/s1",VQSRKMNBWMHJKY-YTEVENLXSA-N,Inhibitor,Inhibition,,,,,pIC50,,6.21,,IC50,,615.0,,=,Inhibition of BACE1 enzyme activity in a biochemical assay.,,,34081466, beta-secretase 1,2330,P56817,Human,β-secretase inhibitor IV,11713,,5287532,C[C@H](c1ccccc1)NC(=O)c1cc(cc(c1)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](CNC1CC1)O,"InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1",VPNIQGRFZCTBEZ-SPTGULJVSA-N,Inhibitor,Inhibition,,,,,pKi,,6.63,,Ki,,233.0,,=,,,,17432843, beta-secretase 1,2330,P56817,Human,JNJ-67569762,11751,,156612914,CCS(=O)(=O)[C@]1(C)CC[C@](CF)(N=C1N)c1cc(ccc1F)NC(=O)c1cc2OC(F)(F)Oc2cn1,"InChI=1S/C22H22F4N4O5S/c1-3-36(32,33)20(2)6-7-21(11-23,30-19(20)27)13-8-12(4-5-14(13)24)29-18(31)15-9-16-17(10-28-15)35-22(25,26)34-16/h4-5,8-10H,3,6-7,11H2,1-2H3,(H2,27,30)(H,29,31)/t20-,21-/m1/s1",NDIQAOIHFVWZJQ-NHCUHLMSSA-N,Inhibitor,Inhibition,,,,,pIC50,,8.57,,IC50,,2.7,,=,,,,34553934, beta-secretase 1,2330,P56817,Human,compound 6 [PMID: 34553947],11775,,162366968,C[C@]1([C@@H](F)[C@@H](C)SC(=N1)N)c1cc(NC(=O)c2ncc3OCCOc3c2)ccc1F,"InChI=1S/C20H20F2N4O3S/c1-10-17(22)20(2,26-19(23)30-10)12-7-11(3-4-13(12)21)25-18(27)14-8-15-16(9-24-14)29-6-5-28-15/h3-4,7-10,17H,5-6H2,1-2H3,(H2,23,26)(H,25,27)/t10-,17+,20-/m1/s1",LQVIUEMPEFSVOL-CPRIZNHFSA-N,Inhibitor,Inhibition,,,,,pKi,,9.89,,Ki,,0.13,,=,BInding affinity determined in a competitive radioligand binding assay using the nonselective BACE1/2 inhibitor [3H] JNJ-962,,,34553947, beta-secretase 1,2330,P56817,Human,umibecestat,12747,,88602735,C[C@]1(CO[C@@](C(=N1)N)(C)C(F)(F)F)C2=C(C=CC(=N2)NC(=O)C3=C(C=C(C=N3)C(F)(F)F)Cl)F,"InChI=1S/C19H15ClF7N5O2/c1-16(7-34-17(2,15(28)32-16)19(25,26)27)13-10(21)3-4-11(30-13)31-14(33)12-9(20)5-8(6-29-12)18(22,23)24/h3-6H,7H2,1-2H3,(H2,28,32)(H,30,31,33)/t16-,17+/m0/s1",PSBBWFNMHDUTRH-DLBZAZTESA-N,Inhibitor,Inhibition,,,,,pIC50,,7.96,,IC50,,11.0,,=,,,,34648711,