TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T89565 Caspase-5 B09QSU Inhibitor 66b Investigative 5327309 C25H23ClN2O9S3 627.1 C1=CC=C(C(=C1)CSCC(=O)[C@H](CC(=O)O)NC(=O)C2=CC=C(S2)CNS(=O)(=O)C3=CC(=C(C=C3)O)C(=O)O)Cl Ki = 63000 nM Poor binder T89565 Caspase-5 BCXK47 (E,3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-3-Carboxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-2-phenylacetyl]amino]-3-methylbutanoyl]amino]-6-ethoxy-6-oxohex-4-enoic acid Investigative 71471109 C33H40N4O11 668.7 CCOC(=O)/C=C/[C@H](CC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C1=CC=CC=C1)NC(=O)[C@H](CC(=O)O)NC(=O)OCC2=CC=CC=C2 IC50 ~ 100000 nM Poor binder T89565 Caspase-5 BI75MQ Inhibitor 47c Investigative 5327301 C27H27ClN2O7S2 591.1 CN(CC1=CC(=C(C=C1)O)C(=O)O)CC2=CC=C(S2)C(=O)N[C@@H](CC(=O)O)C(=O)CSCC3=CC=CC=C3Cl Ki = 98000 nM Poor binder