TTD_Target_ID	Target_Name	TTD_Drug_ID	Drug_Name	Drug_Highest_Status	Drug_PubchemID	Molecular_Formula	Molecular_Weight	Canonical_SMILES	Activity	Binder_Type
T09128	Caspase-2	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 = 64000 nM	Poor binder
T09128	Caspase-2	B57NSY	(3S)-3-[[(2S)-2-Acetamido-3-methylbutanoyl]amino]-4-[[(2S)-1-[(2S,3S)-3-butan-2-yloxy-2-[[(3S)-2-hydroxy-5-oxooxolan-3-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid	Investigative	56663392	C29H47N5O11	641.7	CCC(C)O[C@H]1CCN([C@@H]1C(=O)N[C@H]2CC(=O)OC2O)C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)C	IC50 ~ 50000 nM	Poor binder
T09128	Caspase-2	B5GFI6	(3S)-3-[[(2S)-2-Acetamido-3-methylbutanoyl]amino]-4-[[(2S)-1-[(2S,3S)-2-[[(3S)-2-hydroxy-5-oxooxolan-3-yl]carbamoyl]-3-propan-2-yloxypiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid	Investigative	56666821	C29H47N5O11	641.7	CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]([C@H]1C(=O)N[C@H]2CC(=O)OC2O)OC(C)C)NC(=O)C	IC50 = 52800 nM	Poor binder
T09128	Caspase-2	B5R8LV	(3S)-3-[[(2S)-2-Acetamido-3-methylbutanoyl]amino]-4-[[(2S)-1-[(2S,3R)-2-[[(3S)-2-hydroxy-5-oxooxolan-3-yl]carbamoyl]-3-phenylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid	Investigative	56677088	C31H43N5O10	645.7	CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N1CC[C@@H]([C@H]1C(=O)N[C@H]2CC(=O)OC2O)C3=CC=CC=C3)NC(=O)C	IC50 = 50000 nM	Poor binder
T09128	Caspase-2	B6OFH5	(3S)-3-[[(2S)-2-Acetamido-3-methylbutanoyl]amino]-4-[[(2S)-1-[(2S,3R)-2-[[(3S)-2-hydroxy-5-oxooxolan-3-yl]carbamoyl]-3-(4-methylphenyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid	Investigative	56680416	C32H45N5O10	659.7	CC1=CC=C(C=C1)[C@H]2CCN([C@@H]2C(=O)N[C@H]3CC(=O)OC3O)C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)C	IC50 ~ 65000 nM	Poor binder
T09128	Caspase-2	B8MQD0	(E,3S)-3-[[(2S)-1-[(2R)-2-[(4-Amino-3-chlorobenzoyl)amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carbonyl]amino]-5-methylsulfonylpent-4-enoic acid	Investigative	71720507	C24H33ClN4O7S	557.1	CC(C)(C)[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)/C=C/S(=O)(=O)C)NC(=O)C2=CC(=C(C=C2)N)Cl	IC50 ~ 100000 nM	Poor binder
T09128	Caspase-2	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
T09128	Caspase-2	BHCS54	N-Decylbutanamide	Investigative	3614377	C14H29NO	227.39	CCCCCCCCCCNC(=O)CCC	EC50 = 66000 nM	Poor binder
T09128	Caspase-2	BLM9F1	(E,3S)-3-[[(2S,3S)-2-[[(2S)-5-Amino-2-[[(2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]-5-methylsulfonylpent-4-enoic acid	Investigative	71718085	C36H46N6O10S	754.9	CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)O)/C=C/S(=O)(=O)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)OCC3=CC=CC=C3	IC50 ~ 100000 nM	Poor binder
T09128	Caspase-2	BREZ16	N,N'-Bis(3-aminopropyl)ethylenediamine	Investigative	25378	C8H22N4	174.29	C(CN)CNCCNCCCN	EC50 = 50000 nM	Poor binder
T09128	Caspase-2	BXI2Z0	(E,3S)-3-[[(2S,3S)-2-[[(2S)-5-Amino-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]-5-methylsulfonylpent-4-enoic acid	Investigative	71719897	C30H45N5O10S	667.8	CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)O)/C=C/S(=O)(=O)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)OCC1=CC=CC=C1	IC50 ~ 100000 nM	Poor binder
T09128	Caspase-2	BY2E0P	2,2-Diphenyl-N'-(2,7,8-trimethylquinolin-4-yl)acetohydrazide	Investigative	2318649	C26H25N3O	395.5	CC1=C(C2=NC(=CC(=C2C=C1)NNC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C)C	EC50 = 50000 nM	Poor binder
T09128	Caspase-2	BZ9EC2	(3S)-3-[[(2S)-2-Acetamido-3-methylbutanoyl]amino]-4-[[(2S)-1-[1-[[(3S)-2-hydroxy-5-oxooxolan-3-yl]carbamoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid	Investigative	56673751	C32H45N5O12	691.7	CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC2=CC(=C(C=C2C1C(=O)N[C@H]3CC(=O)OC3O)OC)OC)NC(=O)C	IC50 ~ 100000 nM	Poor binder
T09128	Caspase-2	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
T09128	Caspase-2	D0Q9XX	casp 4 inhib	Investigative	515950	C9H6N2O4	206.15	CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C1=O	Ki ~ 50000 nM	Poor binder