TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T01280 Beta-site APP-cleaving enzyme 2 B0AI2N (4S)-4-[5-(Ethylaminomethyl)-2,4-difluorophenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine Investigative 137637780 C14H19F2N3S 299.38 CCNCC1=CC(=C(C=C1F)F)[C@@]2(CCSC(=N2)N)C IC50 = 75700 nM Poor binder T01280 Beta-site APP-cleaving enzyme 2 B1M0EZ N1-((2S,3R)-4-(Cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl)-5-ethynyl-N3-((R)-1-phenylethyl)isophthalamide Investigative 44570174 C31H33N3O3 495.6 C[C@H](C1=CC=CC=C1)NC(=O)C2=CC(=CC(=C2)C#C)C(=O)N[C@@H](CC3=CC=CC=C3)[C@@H](CNC4CC4)O IC50 ~ 100000 nM Poor binder T01280 Beta-site APP-cleaving enzyme 2 B3BEJ6 3-(1,1-Dioxothiazinan-2-yl)-5-(ethylamino)-N-[(2R,3S)-2-hydroxy-1-[(3-methoxyphenyl)methylamino]-4-methylpentan-3-yl]benzamide Investigative 44447299 C27H40N4O5S 532.7 CCNC1=CC(=CC(=C1)C(=O)N[C@H]([C@@H](CNCC2=CC(=CC=C2)OC)O)C(C)C)N3CCCCS3(=O)=O IC50 ~ 100000 nM Poor binder T01280 Beta-site APP-cleaving enzyme 2 B3EFP0 N1-((2S,3R)-4-(Cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl)-N3-((R)-1-phenylethyl)-5-(thiophen-3-yl)isophthalamide Investigative 44570207 C33H35N3O3S 553.7 C[C@H](C1=CC=CC=C1)NC(=O)C2=CC(=CC(=C2)C3=CSC=C3)C(=O)N[C@@H](CC4=CC=CC=C4)[C@@H](CNC5CC5)O IC50 ~ 100000 nM Poor binder T01280 Beta-site APP-cleaving enzyme 2 B3SZ1C N1-((2S,3R)-4-(Cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl)-5-methoxy-N3-((R)-1-phenylethyl)isophthalamide Investigative 44570173 C30H35N3O4 501.6 C[C@H](C1=CC=CC=C1)NC(=O)C2=CC(=CC(=C2)OC)C(=O)N[C@@H](CC3=CC=CC=C3)[C@@H](CNC4CC4)O IC50 ~ 100000 nM Poor binder T01280 Beta-site APP-cleaving enzyme 2 B4HS8N N-[(5R,14R)-5-Amino-5-methyl-4,16-dioxo-14-phenyl-3-oxa-15-azatricyclo[15.3.1.17,11]docosa-1(21),7,9,11(22),17,19-hexaen-19-yl]-N-propylmethanesulfonamide Investigative 44441703 C31H37N3O5S 563.7 CCCN(C1=CC2=CC(=C1)C(=O)N[C@H](CCC3=CC(=CC=C3)C[C@@](C(=O)OC2)(C)N)C4=CC=CC=C4)S(=O)(=O)C IC50 = 54000 nM Poor binder T01280 Beta-site APP-cleaving enzyme 2 B4IW2Q N5-((2S,3R)-4-(Cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl)-N7-((R)-1-phenylethyl)chroman-5,7-dicarboxamide Investigative 44570302 C32H37N3O4 527.7 C[C@H](C1=CC=CC=C1)NC(=O)C2=CC(=C3CCCOC3=C2)C(=O)N[C@@H](CC4=CC=CC=C4)[C@@H](CNC5CC5)O IC50 ~ 100000 nM Poor binder T01280 Beta-site APP-cleaving enzyme 2 B57UJA (4S)-4-[2,4-Difluoro-5-[(3,3,3-trifluoropropylamino)methyl]phenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine Investigative 137646316 C15H18F5N3S 367.4 C[C@]1(CCSC(=N1)N)C2=C(C=C(C(=C2)CNCCC(F)(F)F)F)F IC50 ~ 100000 nM Poor binder T01280 Beta-site APP-cleaving enzyme 2 B5HCQ7 (4S)-4-[2,4-Difluoro-5-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]phenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine Investigative 137640486 C17H23F2N3OS 355.4 C[C@]1(CCSC(=N1)N)C2=C(C=C(C(=C2)CN3CC[C@H](C3)OC)F)F IC50 ~ 100000 nM Poor binder T01280 Beta-site APP-cleaving enzyme 2 B7U4EB (R)-5-Adamantan-1-yl-2-amino-5-(4-methoxy-3-methyl-phenyl)-3-methyl-3,5-dihydro-imidazol-4-one Investigative 45488108 C22H29N3O2 367.5 CC1=C(C=CC(=C1)[C@@]2(C(=O)N(C(=N2)N)C)C34CC5CC(C3)CC(C5)C4)OC IC50 = 73580 nM Poor binder T01280 Beta-site APP-cleaving enzyme 2 B8KYV1 3-{2-[(5-Aminopentyl)amino]-2-oxoethoxy}-5-({[1-(4-fluorophenyl)ethyl]amino}carbonyl)phenyl phenylmethanesulfonate Investigative 448772 C29H34FN3O6S 571.7 C[C@H](C1=CC=C(C=C1)F)NC(=O)C2=CC(=CC(=C2)OS(=O)(=O)CC3=CC=CC=C3)OCC(=O)NCCCCCN IC50 = 137000 nM Poor binder T01280 Beta-site APP-cleaving enzyme 2 B8M9PZ 3-[Benzyl(methyl)sulfamoyl]-N-[(2S,3R)-4-[[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]benzamide Investigative 49863030 C34H44N4O5S 620.8 C[C@@H](C(=O)NC1CCCCC1)NC[C@H]([C@H](CC2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N(C)CC4=CC=CC=C4)O IC50 = 200000 nM Poor binder T01280 Beta-site APP-cleaving enzyme 2 B8X6AV N4-((2S,3R)-4-(Cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl)-2-methyl-N6-((R)-1-phenylethyl)benzofuran-4,6-dicarboxamide Investigative 44570263 C32H35N3O4 525.6 CC1=CC2=C(C=C(C=C2O1)C(=O)N[C@H](C)C3=CC=CC=C3)C(=O)N[C@@H](CC4=CC=CC=C4)[C@@H](CNC5CC5)O IC50 ~ 100000 nM Poor binder T01280 Beta-site APP-cleaving enzyme 2 B94TIS (4S)-4-[2,4-Difluoro-5-[(3-methoxypropylamino)methyl]phenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine Investigative 137635828 C16H23F2N3OS 343.4 C[C@]1(CCSC(=N1)N)C2=C(C=C(C(=C2)CNCCCOC)F)F IC50 = 62900 nM Poor binder T01280 Beta-site APP-cleaving enzyme 2 B9GHI3 (4S)-4-[2,4-Difluoro-5-[[(5-methylpyridin-2-yl)amino]methyl]phenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine Investigative 137654633 C18H20F2N4S 362.4 CC1=CN=C(C=C1)NCC2=CC(=C(C=C2F)F)[C@@]3(CCSC(=N3)N)C IC50 ~ 100000 nM Poor binder T01280 Beta-site APP-cleaving enzyme 2 B9XZ0F N-((2S,3R)-4-((S)-1-(Cyclohexylamino)-1-oxopropan-2-ylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(2-oxopyrrolidin-1-yl)benzamide Investigative 44454541 C30H40N4O4 520.7 C[C@@H](C(=O)NC1CCCCC1)NC[C@H]([C@H](CC2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)N4CCCC4=O)O IC50 = 78530 nM Poor binder T01280 Beta-site APP-cleaving enzyme 2 BA4E7V (4S)-4-[2,4-Difluoro-5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine Investigative 137657646 C15H18F5N3S 367.4 C[C@]1(CCSC(=N1)N)C2=C(C=C(C(=C2)CN(C)CC(F)(F)F)F)F IC50 ~ 84000 nM Poor binder T01280 Beta-site APP-cleaving enzyme 2 BALO21 (6R,8As)-8a-(2,4-difluorophenyl)-6-(2-methylpyrimidin-4-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine Investigative 91819730 C18H18F2N4OS 376.4 CC1=NC=CC(=N1)[C@H]2CC3CSC(=N[C@]3(CO2)C4=C(C=C(C=C4)F)F)N IC50 ~ 100000 nM Poor binder T01280 Beta-site APP-cleaving enzyme 2 BBFQ67 N1-((2S,3R)-4-(Cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl)-5-hydroxy-N3-((R)-1-phenylethyl)isophthalamide Investigative 44570172 C29H33N3O4 487.6 C[C@H](C1=CC=CC=C1)NC(=O)C2=CC(=CC(=C2)O)C(=O)N[C@@H](CC3=CC=CC=C3)[C@@H](CNC4CC4)O IC50 ~ 100000 nM Poor binder T01280 Beta-site APP-cleaving enzyme 2 BBP90W N1-((2S,3R)-4-(Cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl)-N3-((R)-1-phenylethyl)-5-(2-phenylethynyl)isophthalamide Investigative 44570209 C37H37N3O3 571.7 C[C@H](C1=CC=CC=C1)NC(=O)C2=CC(=CC(=C2)C#CC3=CC=CC=C3)C(=O)N[C@@H](CC4=CC=CC=C4)[C@@H](CNC5CC5)O IC50 ~ 100000 nM Poor binder T01280 Beta-site APP-cleaving enzyme 2 BE9V1A (4S)-4-[5-[(Dimethylamino)methyl]-2,4-difluorophenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine Investigative 137662127 C14H19F2N3S 299.38 C[C@]1(CCSC(=N1)N)C2=C(C=C(C(=C2)CN(C)C)F)F IC50 ~ 100000 nM Poor binder T01280 Beta-site APP-cleaving enzyme 2 BF09KQ N-((2S,3R)-4-(Cyclohexylmethylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide Investigative 44446199 C30H42N4O3 506.7 CCNC1=CC(=CC(=C1)C(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](CNCC3CCCCC3)O)N4CCCC4=O IC50 = 57540 nM Poor binder T01280 Beta-site APP-cleaving enzyme 2 BFLK57 N-[Amino(imino)methyl]-2-(2,5-diphenyl-1H-pyrrol-1-yl)acetamide Investigative 11290116 C19H18N4O 318.4 C1=CC=C(C=C1)C2=CC=C(N2CC(=O)N=C(N)N)C3=CC=CC=C3 IC50 ~ 50000 nM Poor binder T01280 Beta-site APP-cleaving enzyme 2 BFN8B9 3-Benzylsulfonyl-N-[(2S,3R)-4-[[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]benzamide Investigative 49863029 C33H41N3O5S 591.8 C[C@@H](C(=O)NC1CCCCC1)NC[C@H]([C@H](CC2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)CC4=CC=CC=C4)O IC50 = 117000 nM Poor binder T01280 Beta-site APP-cleaving enzyme 2 BI1JW7 4-Imidazolidinone, 2-imino-5,5-diphenyl- Investigative 213731 C15H13N3O 251.28 C1=CC=C(C=C1)C2(C(=O)NC(=N2)N)C3=CC=CC=C3 IC50 = 87190 nM Poor binder T01280 Beta-site APP-cleaving enzyme 2 BI3VT0 N-[[4-(Aminomethyl)phenyl]methyl]-3-methyl-2-(4-phenylphenyl)butanamide Investigative 71584648 C25H28N2O 372.5 CC(C)C(C1=CC=C(C=C1)C2=CC=CC=C2)C(=O)NCC3=CC=C(C=C3)CN IC50 = 100500 nM Poor binder T01280 Beta-site APP-cleaving enzyme 2 BIUT74 (4S)-4-[2,4-Difluoro-5-[(propan-2-ylamino)methyl]phenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine Investigative 137648425 C15H21F2N3S 313.4 CC(C)NCC1=CC(=C(C=C1F)F)[C@@]2(CCSC(=N2)N)C IC50 ~ 94000 nM Poor binder T01280 Beta-site APP-cleaving enzyme 2 BK8FY7 3-(Ethylamino)-N-((2S,3R)-3-hydroxy-4-(1-isobutoxy-2-methylpropan-2-ylamino)-1-phenylbutan-2-yl)-5-(2-oxopyrrolidin-1-yl)benzamide Investigative 44446202 C31H46N4O4 538.7 CCNC1=CC(=CC(=C1)C(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](CNC(C)(C)COCC(C)C)O)N3CCCC3=O IC50 = 69010 nM Poor binder T01280 Beta-site APP-cleaving enzyme 2 BKQ3X4 4-Acetamido-N-[(2S,3R)-4-[[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]benzamide Investigative 44454542 C28H38N4O4 494.6 C[C@@H](C(=O)NC1CCCCC1)NC[C@H]([C@H](CC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)NC(=O)C)O IC50 ~ 100000 nM Poor binder T01280 Beta-site APP-cleaving enzyme 2 BKX5E4 (2R)-N-[[4-(Aminomethyl)phenyl]methyl]-2-(3-fluoro-4-phenylphenyl)propanamide Investigative 71584647 C23H23FN2O 362.4 C[C@H](C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)NCC3=CC=C(C=C3)CN IC50 = 193800 nM Poor binder T01280 Beta-site APP-cleaving enzyme 2 BL62CN 3-(Benzylsulfonylamino)-N-[(2S,3R)-4-[[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]benzamide Investigative 49863026 C33H42N4O5S 606.8 C[C@@H](C(=O)NC1CCCCC1)NC[C@H]([C@H](CC2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)NS(=O)(=O)CC4=CC=CC=C4)O IC50 = 132000 nM Poor binder T01280 Beta-site APP-cleaving enzyme 2 BM08WG 5-(1-Benzyl-1H-1,2,3-triazol-4-yl)-N1-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl)-N3-((R)-1-phenylethyl)isophthalamide Investigative 44570210 C38H40N6O3 628.8 C[C@H](C1=CC=CC=C1)NC(=O)C2=CC(=CC(=C2)C3=CN(N=N3)CC4=CC=CC=C4)C(=O)N[C@@H](CC5=CC=CC=C5)[C@@H](CNC6CC6)O IC50 ~ 100000 nM Poor binder T01280 Beta-site APP-cleaving enzyme 2 BN03VI (4S)-4-[5-[(Cyclopropylamino)methyl]-2,4-difluorophenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine Investigative 137641491 C15H19F2N3S 311.4 C[C@]1(CCSC(=N1)N)C2=C(C=C(C(=C2)CNC3CC3)F)F IC50 ~ 100000 nM Poor binder T01280 Beta-site APP-cleaving enzyme 2 BO4BC3 Hydroxy ethylamine (HEA), 19 Investigative 25190497 C28H38N6O5S 570.7 CCNC1=CC(=CC(=C1)C(=O)N[C@@H](CN2C=CC=N2)[C@@H](CNCC3=CC(=CC=C3)OC)O)N4CCCCS4(=O)=O IC50 ~ 100000 nM Poor binder T01280 Beta-site APP-cleaving enzyme 2 BOAF03 N6-((2S,3R)-4-(Cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl)-2-methyl-N4-((R)-1-phenylethyl)benzofuran-4,6-dicarboxamide Investigative 44570213 C32H35N3O4 525.6 CC1=CC2=C(C=C(C=C2O1)C(=O)N[C@@H](CC3=CC=CC=C3)[C@@H](CNC4CC4)O)C(=O)N[C@H](C)C5=CC=CC=C5 IC50 ~ 100000 nM Poor binder T01280 Beta-site APP-cleaving enzyme 2 BP3GR1 N7-((2S,3R)-4-(Cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl)-N5-((R)-1-phenylethyl)chroman-5,7-dicarboxamide Investigative 25181420 C32H37N3O4 527.7 C[C@H](C1=CC=CC=C1)NC(=O)C2=C3CCCOC3=CC(=C2)C(=O)N[C@@H](CC4=CC=CC=C4)[C@@H](CNC5CC5)O IC50 ~ 100000 nM Poor binder T01280 Beta-site APP-cleaving enzyme 2 BRL6I0 N8-((2S,3R)-4-(Cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl)-N6-((R)-1-phenylethyl)-2,3,4,5-tetrahydrobenzo[b]oxepine-6,8-dicarboxamide Investigative 25181421 C33H39N3O4 541.7 C[C@H](C1=CC=CC=C1)NC(=O)C2=C3CCCCOC3=CC(=C2)C(=O)N[C@@H](CC4=CC=CC=C4)[C@@H](CNC5CC5)O IC50 ~ 100000 nM Poor binder T01280 Beta-site APP-cleaving enzyme 2 BV51WT 3-(Benzenesulfonamido)-N-[(2S,3R)-4-[[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]benzamide Investigative 49863025 C32H40N4O5S 592.8 C[C@@H](C(=O)NC1CCCCC1)NC[C@H]([C@H](CC2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=CC=C4)O IC50 = 79400 nM Poor binder T01280 Beta-site APP-cleaving enzyme 2 BW6D5J N6-((2S,3R)-4-(Cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl)-N8-((R)-1-phenylethyl)-2,3,4,5-tetrahydrobenzo[b]oxepine-6,8-dicarboxamide Investigative 44570303 C33H39N3O4 541.7 C[C@H](C1=CC=CC=C1)NC(=O)C2=CC(=C3CCCCOC3=C2)C(=O)N[C@@H](CC4=CC=CC=C4)[C@@H](CNC5CC5)O IC50 ~ 100000 nM Poor binder T01280 Beta-site APP-cleaving enzyme 2 BX09KW 5-(4-Chlorophenyl)-3-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-1-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide Investigative 44570208 C35H36ClN3O3 582.1 C[C@H](C1=CC=CC=C1)NC(=O)C2=CC(=CC(=C2)C3=CC=C(C=C3)Cl)C(=O)N[C@@H](CC4=CC=CC=C4)[C@@H](CNC5CC5)O IC50 ~ 100000 nM Poor binder T01280 Beta-site APP-cleaving enzyme 2 BX5G3H N-((2S,3R)-4-(Benzylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide Investigative 10391277 C30H36N4O3 500.6 CCNC1=CC(=CC(=C1)C(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](CNCC3=CC=CC=C3)O)N4CCCC4=O IC50 = 63100 nM Poor binder T01280 Beta-site APP-cleaving enzyme 2 BXA2G8 N-((2S,3R)-4-((R)-2,3-Dihydro-1H-inden-1-ylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide Investigative 44446207 C32H38N4O3 526.7 CCNC1=CC(=CC(=C1)C(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](CN[C@@H]3CCC4=CC=CC=C34)O)N5CCCC5=O IC50 = 93330 nM Poor binder