TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T53469 Caspase-4 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 ~ 100000 nM Poor binder T53469 Caspase-4 B6LN1Y 5-(2-((Methyl(phenyl)amino)methyl)pyrrolidin-1-ylsulfonyl)indoline-2,3-dione Investigative 44304162 C20H21N3O4S 399.5 CN(CC1CCCN1S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C3=O)C4=CC=CC=C4 Ki ~ 50000 nM Poor binder T53469 Caspase-4 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 = 96000 nM Poor binder T53469 Caspase-4 BOF0Z9 5-{[(5-{[(2S)-1-Carboxy-3-oxopropan-2-yl]carbamoyl}pyridin-2-yl)methyl]sulfamoyl}-2-hydroxybenzoic acid Investigative 5327304 C18H17N3O9S 451.4 C1=CC(=C(C=C1S(=O)(=O)NCC2=NC=C(C=C2)C(=O)N[C@@H](CC(=O)O)C=O)C(=O)O)O Ki = 92000 nM Poor binder T53469 Caspase-4 D0N5MU 5-(pyrrolidin-1-ylsulfonyl)indoline-2,3-dione Investigative 4117381 C12H12N2O4S 280.3 C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C3=O Ki ~ 50000 nM Poor binder