TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T31902 Mammalian disintegrin-metalloprotease B0KPS2 (5S)-4-(1-Adamantylmethyl)-1-[(2S)-1-[(2S)-2-[[(6S)-2,3-dioxo-6-propylpiperazin-1-yl]methyl]pyrrolidin-1-yl]-3-(4-hydroxyphenyl)propan-2-yl]-5-[(4-hydroxyphenyl)methyl]piperazine-2,3-dione Investigative 122181847 C43H57N5O6 739.9 CCC[C@H]1CNC(=O)C(=O)N1C[C@@H]2CCCN2C[C@H](CC3=CC=C(C=C3)O)N4C[C@@H](N(C(=O)C4=O)CC56CC7CC(C5)CC(C7)C6)CC8=CC=C(C=C8)O IC50 ~ 100000 nM Poor binder T31902 Mammalian disintegrin-metalloprotease B1L0CN (5S)-4-(Cyclobutylmethyl)-1-[(2S)-1-[(2S)-2-[[(6S)-2,3-dioxo-6-propylpiperazin-1-yl]methyl]pyrrolidin-1-yl]-3-(4-hydroxyphenyl)propan-2-yl]-5-[(4-hydroxyphenyl)methyl]piperazine-2,3-dione Investigative 122181849 C37H49N5O6 659.8 CCC[C@H]1CNC(=O)C(=O)N1C[C@@H]2CCCN2C[C@H](CC3=CC=C(C=C3)O)N4C[C@@H](N(C(=O)C4=O)CC5CCC5)CC6=CC=C(C=C6)O IC50 ~ 100000 nM Poor binder T31902 Mammalian disintegrin-metalloprotease B2F1XY (5R)-4-[2-(1-Adamantyl)ethyl]-5-[(4-hydroxyphenyl)methyl]-1-[(2S)-1-(4-hydroxyphenyl)-3-[(2S)-2-[[(6R)-6-(naphthalen-2-ylmethyl)-2,3-dioxopiperazin-1-yl]methyl]pyrrolidin-1-yl]propan-2-yl]piperazine-2,3-dione Investigative 122181993 C52H61N5O6 852.1 C1C[C@H](N(C1)C[C@H](CC2=CC=C(C=C2)O)N3C[C@H](N(C(=O)C3=O)CCC45CC6CC(C4)CC(C6)C5)CC7=CC=C(C=C7)O)CN8[C@@H](CNC(=O)C8=O)CC9=CC1=CC=CC=C1C=C9 IC50 ~ 100000 nM Poor binder T31902 Mammalian disintegrin-metalloprotease B30EOS (5S)-4-[2-(1-Adamantyl)ethyl]-1-[(2S)-1-[(2S)-2-[[(6S)-2,3-dioxo-6-propylpiperazin-1-yl]methyl]pyrrolidin-1-yl]-3-(4-hydroxyphenyl)propan-2-yl]-5-(naphthalen-2-ylmethyl)piperazine-2,3-dione Investigative 122181989 C48H61N5O5 788 CCC[C@H]1CNC(=O)C(=O)N1C[C@@H]2CCCN2C[C@H](CC3=CC=C(C=C3)O)N4C[C@@H](N(C(=O)C4=O)CCC56CC7CC(C5)CC(C7)C6)CC8=CC9=CC=CC=C9C=C8 IC50 ~ 100000 nM Poor binder T31902 Mammalian disintegrin-metalloprotease B4KP2H Grassystatin B Investigative 44253976 C59H97N9O16 1188.5 CC[C@@H](C(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)OC)NC(=O)[C@H]([C@@H](C)O)NC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C(C)C)OC(=O)[C@H](C(C)C)OC(=O)[C@H](C(C)C)N(C)C)O IC50 = 87200 nM Poor binder T31902 Mammalian disintegrin-metalloprotease B52MUV (5S)-4-[2-(1-Adamantyl)ethyl]-5-butyl-1-[(2S)-1-(4-hydroxyphenyl)-3-[(2S)-2-[[(6R)-6-(naphthalen-2-ylmethyl)-2,3-dioxopiperazin-1-yl]methyl]pyrrolidin-1-yl]propan-2-yl]piperazine-2,3-dione Investigative 122181996 C49H63N5O5 802.1 CCCC[C@H]1CN(C(=O)C(=O)N1CCC23CC4CC(C2)CC(C4)C3)[C@@H](CC5=CC=C(C=C5)O)CN6CCC[C@H]6CN7[C@@H](CNC(=O)C7=O)CC8=CC9=CC=CC=C9C=C8 IC50 ~ 100000 nM Poor binder T31902 Mammalian disintegrin-metalloprotease B7QJE6 Schembl21751149 Investigative 78426757 C48H59N5O5 786 C1C[C@H](N(C1)C[C@H](CC2=CC=CC=C2)N3C[C@@H](N(C(=O)C3=O)CCC45CC6CC(C4)CC(C6)C5)CC7=CC=C(C=C7)O)CN8[C@H](CNC(=O)C8=O)CC9=CC=CC=C9 IC50 ~ 100000 nM Poor binder T31902 Mammalian disintegrin-metalloprotease B8ZA1E (5R)-4-[2-(1-Adamantyl)ethyl]-1-[(2S)-1-[(2S)-2-[[(6S)-2,3-dioxo-6-propylpiperazin-1-yl]methyl]pyrrolidin-1-yl]-3-(4-hydroxyphenyl)propan-2-yl]-5-(naphthalen-2-ylmethyl)piperazine-2,3-dione Investigative 122181990 C48H61N5O5 788 CCC[C@H]1CNC(=O)C(=O)N1C[C@@H]2CCCN2C[C@H](CC3=CC=C(C=C3)O)N4C[C@H](N(C(=O)C4=O)CCC56CC7CC(C5)CC(C7)C6)CC8=CC9=CC=CC=C9C=C8 IC50 ~ 100000 nM Poor binder T31902 Mammalian disintegrin-metalloprotease B9BDK4 (5S)-1-[(2S)-1-[(2S)-2-[[(6S)-2,3-Dioxo-6-propylpiperazin-1-yl]methyl]pyrrolidin-1-yl]-3-(4-hydroxyphenyl)propan-2-yl]-5-[(4-hydroxyphenyl)methyl]-4-(2-phenylbutyl)piperazine-2,3-dione Investigative 122181850 C42H53N5O6 723.9 CCC[C@H]1CNC(=O)C(=O)N1C[C@@H]2CCCN2C[C@H](CC3=CC=C(C=C3)O)N4C[C@@H](N(C(=O)C4=O)CC(CC)C5=CC=CC=C5)CC6=CC=C(C=C6)O IC50 ~ 100000 nM Poor binder T31902 Mammalian disintegrin-metalloprotease B9CYO6 (5R)-4-[2-(1-Adamantyl)ethyl]-1-[(2S)-1-[(2S)-2-[[(6S)-2,3-dioxo-6-propylpiperazin-1-yl]methyl]pyrrolidin-1-yl]-3-(4-hydroxyphenyl)propan-2-yl]-5-[(4-hydroxyphenyl)methyl]piperazine-2,3-dione Investigative 122181988 C44H59N5O6 754 CCC[C@H]1CNC(=O)C(=O)N1C[C@@H]2CCCN2C[C@H](CC3=CC=C(C=C3)O)N4C[C@H](N(C(=O)C4=O)CCC56CC7CC(C5)CC(C7)C6)CC8=CC=C(C=C8)O IC50 ~ 100000 nM Poor binder T31902 Mammalian disintegrin-metalloprotease BB5SG2 (5S)-4-[2-(1-Adamantyl)ethyl]-5-[(4-hydroxyphenyl)methyl]-1-[(2R)-1-[(2S)-2-[[(6R)-6-[(4-hydroxyphenyl)methyl]-2,3-dioxopiperazin-1-yl]methyl]pyrrolidin-1-yl]-3-naphthalen-2-ylpropan-2-yl]piperazine-2,3-dione Investigative 122181997 C52H61N5O6 852.1 C1C[C@H](N(C1)C[C@@H](CC2=CC3=CC=CC=C3C=C2)N4C[C@@H](N(C(=O)C4=O)CCC56CC7CC(C5)CC(C7)C6)CC8=CC=C(C=C8)O)CN9[C@@H](CNC(=O)C9=O)CC1=CC=C(C=C1)O IC50 ~ 100000 nM Poor binder T31902 Mammalian disintegrin-metalloprotease BBY7O2 (5S)-4-[2-(1-Adamantyl)ethyl]-5-butyl-1-[(2S)-1-[(2S)-2-[[(6S)-2,3-dioxo-6-propylpiperazin-1-yl]methyl]pyrrolidin-1-yl]-3-(4-hydroxyphenyl)propan-2-yl]piperazine-2,3-dione Investigative 122181991 C41H61N5O5 704 CCCC[C@H]1CN(C(=O)C(=O)N1CCC23CC4CC(C2)CC(C4)C3)[C@@H](CC5=CC=C(C=C5)O)CN6CCC[C@H]6CN7[C@H](CNC(=O)C7=O)CCC IC50 ~ 100000 nM Poor binder T31902 Mammalian disintegrin-metalloprotease BC6T0Q (5S)-5-Benzyl-1-[(2R)-1-[(2S)-2-[[(6R)-6-benzyl-2,3-dioxopiperazin-1-yl]methyl]pyrrolidin-1-yl]-3-cyclohexylpropan-2-yl]-4-(2-phenylethyl)piperazine-2,3-dione Investigative 122181999 C44H55N5O4 717.9 C1CCC(CC1)C[C@H](CN2CCC[C@H]2CN3[C@@H](CNC(=O)C3=O)CC4=CC=CC=C4)N5C[C@@H](N(C(=O)C5=O)CCC6=CC=CC=C6)CC7=CC=CC=C7 IC50 ~ 100000 nM Poor binder T31902 Mammalian disintegrin-metalloprotease BH1N4I (5R)-4-[2-(1-Adamantyl)ethyl]-1-[(2S)-1-(4-hydroxyphenyl)-3-[(2S)-2-[[(6R)-6-(naphthalen-2-ylmethyl)-2,3-dioxopiperazin-1-yl]methyl]pyrrolidin-1-yl]propan-2-yl]-5-(naphthalen-2-ylmethyl)piperazine-2,3-dione Investigative 122181995 C56H63N5O5 886.1 C1C[C@H](N(C1)C[C@H](CC2=CC=C(C=C2)O)N3C[C@H](N(C(=O)C3=O)CCC45CC6CC(C4)CC(C6)C5)CC7=CC8=CC=CC=C8C=C7)CN9[C@@H](CNC(=O)C9=O)CC1=CC2=CC=CC=C2C=C1 IC50 ~ 100000 nM Poor binder T31902 Mammalian disintegrin-metalloprotease BIBX94 CID 78426619 Investigative 78426619 C44H55N5O5 733.9 C1CCC(CC1)C[C@H](CN2CCC[C@H]2CN3[C@H](CNC(=O)C3=O)CC4=CC=CC=C4)N5C[C@@H](N(C(=O)C5=O)CCC6=CC=CC=C6)CC7=CC=C(C=C7)O IC50 ~ 100000 nM Poor binder T31902 Mammalian disintegrin-metalloprotease BJ1LV0 (5S)-5-Benzyl-1-[(2R)-1-cyclohexyl-3-[(2S)-2-[[(6S)-2,3-dioxo-6-propylpiperazin-1-yl]methyl]pyrrolidin-1-yl]propan-2-yl]-4-(2-phenylethyl)piperazine-2,3-dione Investigative 122181998 C40H55N5O4 669.9 CCC[C@H]1CNC(=O)C(=O)N1C[C@@H]2CCCN2C[C@@H](CC3CCCCC3)N4C[C@@H](N(C(=O)C4=O)CCC5=CC=CC=C5)CC6=CC=CC=C6 IC50 ~ 100000 nM Poor binder T31902 Mammalian disintegrin-metalloprotease BK9N5U Grassystatin C Investigative 44253975 C50H82N8O12 987.2 CC[C@H](C)[C@@H](C(=O)NCC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)OC)NC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@@H]([C@@H](C)CC)O)O IC50 ~ 100000 nM Poor binder T31902 Mammalian disintegrin-metalloprotease BMT27D (5S)-4-[2-(1-Adamantyl)ethyl]-1-[(2S)-1-[(2S)-2-[[(6S)-2,3-dioxo-6-propylpiperazin-1-yl]methyl]pyrrolidin-1-yl]-3-(4-hydroxyphenyl)propan-2-yl]-5-[(4-hydroxyphenyl)methyl]piperazine-2,3-dione Investigative 122181851 C44H59N5O6 754 CCC[C@H]1CNC(=O)C(=O)N1C[C@@H]2CCCN2C[C@H](CC3=CC=C(C=C3)O)N4C[C@@H](N(C(=O)C4=O)CCC56CC7CC(C5)CC(C7)C6)CC8=CC=C(C=C8)O IC50 ~ 100000 nM Poor binder T31902 Mammalian disintegrin-metalloprotease BSK12E (5S)-4-[2-(1-Adamantyl)ethyl]-1-[(2S)-1-(4-hydroxyphenyl)-3-[(2S)-2-[[(6R)-6-(naphthalen-2-ylmethyl)-2,3-dioxopiperazin-1-yl]methyl]pyrrolidin-1-yl]propan-2-yl]-5-(naphthalen-2-ylmethyl)piperazine-2,3-dione Investigative 122181994 C56H63N5O5 886.1 C1C[C@H](N(C1)C[C@H](CC2=CC=C(C=C2)O)N3C[C@@H](N(C(=O)C3=O)CCC45CC6CC(C4)CC(C6)C5)CC7=CC8=CC=CC=C8C=C7)CN9[C@@H](CNC(=O)C9=O)CC1=CC2=CC=CC=C2C=C1 IC50 ~ 100000 nM Poor binder T31902 Mammalian disintegrin-metalloprotease BTH54D (5S)-4-[2-(1-Adamantyl)ethyl]-5-[(4-hydroxyphenyl)methyl]-1-[(2S)-1-(4-hydroxyphenyl)-3-[(2S)-2-[[(6R)-6-(naphthalen-2-ylmethyl)-2,3-dioxopiperazin-1-yl]methyl]pyrrolidin-1-yl]propan-2-yl]piperazine-2,3-dione Investigative 122181992 C52H61N5O6 852.1 C1C[C@H](N(C1)C[C@H](CC2=CC=C(C=C2)O)N3C[C@@H](N(C(=O)C3=O)CCC45CC6CC(C4)CC(C6)C5)CC7=CC=C(C=C7)O)CN8[C@@H](CNC(=O)C8=O)CC9=CC1=CC=CC=C1C=C9 IC50 ~ 100000 nM Poor binder T31902 Mammalian disintegrin-metalloprotease BWXS48 (5S)-4-[(4-Tert-butylcyclohexyl)methyl]-1-[(2S)-1-[(2S)-2-[[(6S)-2,3-dioxo-6-propylpiperazin-1-yl]methyl]pyrrolidin-1-yl]-3-(4-hydroxyphenyl)propan-2-yl]-5-[(4-hydroxyphenyl)methyl]piperazine-2,3-dione Investigative 122181846 C43H61N5O6 744 CCC[C@H]1CNC(=O)C(=O)N1C[C@@H]2CCCN2C[C@H](CC3=CC=C(C=C3)O)N4C[C@@H](N(C(=O)C4=O)CC5CCC(CC5)C(C)(C)C)CC6=CC=C(C=C6)O IC50 ~ 100000 nM Poor binder T31902 Mammalian disintegrin-metalloprotease BXKU70 (5S)-4-(Cyclopentylmethyl)-1-[(2S)-1-[(2S)-2-[[(6S)-2,3-dioxo-6-propylpiperazin-1-yl]methyl]pyrrolidin-1-yl]-3-(4-hydroxyphenyl)propan-2-yl]-5-[(4-hydroxyphenyl)methyl]piperazine-2,3-dione Investigative 122181852 C38H51N5O6 673.8 CCC[C@H]1CNC(=O)C(=O)N1C[C@@H]2CCCN2C[C@H](CC3=CC=C(C=C3)O)N4C[C@@H](N(C(=O)C4=O)CC5CCCC5)CC6=CC=C(C=C6)O IC50 ~ 100000 nM Poor binder T31902 Mammalian disintegrin-metalloprotease BZ0W9C (5S)-4-(Cyclohexylmethyl)-1-[(2S)-1-[(2S)-2-[[(6S)-2,3-dioxo-6-propylpiperazin-1-yl]methyl]pyrrolidin-1-yl]-3-(4-hydroxyphenyl)propan-2-yl]-5-[(4-hydroxyphenyl)methyl]piperazine-2,3-dione Investigative 122181848 C39H53N5O6 687.9 CCC[C@H]1CNC(=O)C(=O)N1C[C@@H]2CCCN2C[C@H](CC3=CC=C(C=C3)O)N4C[C@@H](N(C(=O)C4=O)CC5CCCCC5)CC6=CC=C(C=C6)O IC50 ~ 100000 nM Poor binder T31902 Mammalian disintegrin-metalloprotease D0Y5IQ GRASSYSTATIN A Investigative 44255320 C58H95N9O16 1174.4 C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)OC)NC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C(C)C)OC(=O)[C@H](C(C)C)OC(=O)[C@H](C(C)C)N(C)C)O)O IC50 ~ 100000 nM Poor binder