TTD_Target_ID	Target_Name	TTD_Drug_ID	Drug_Name	Drug_Highest_Status	Drug_PubchemID	Molecular_Formula	Molecular_Weight	Canonical_SMILES	Activity	Binder_Type
T72252	Caspase-7	B0FU3L	2-(2,3-Dihydro-1,4-benzodioxin-2-yl)-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide	Investigative	2821636	C17H14N2O4S	342.4	C1C(OC2=CC=CC=C2O1)C3=NC(=CS3)C(=O)NCC4=CC=CO4	IC50 > 200000 nM	Non binder
T72252	Caspase-7	B12IQX	2-(2,3-Dihydro-1,4-benzodioxin-2-yl)-N,N-dimethyl-1,3-thiazole-4-carboxamide	Investigative	2821634	C14H14N2O3S	290.34	CN(C)C(=O)C1=CSC(=N1)C2COC3=CC=CC=C3O2	IC50 > 200000 nM	Non binder
T72252	Caspase-7	B26LNO	(S)-3-(((9H-Fluoren-9-yl)methoxy)carbonylamino)-5-(phenylsulfonyl)pent-4-enoic acid	Investigative	46933021	C26H23NO6S	477.5	C1=CC=C(C=C1)S(=O)(=O)/C=C/[C@H](CC(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24	IC50 > 200000 nM	Non binder
T72252	Caspase-7	B2G5TB	(S)-3-((2S,3S)-2-(Benzyloxycarbonylamino)-3-methylpentanamido)-5-(methylsulfonyl)pent-4-enoic acid	Investigative	46933463	C20H28N2O7S	440.5	CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)O)/C=C/S(=O)(=O)C)NC(=O)OCC1=CC=CC=C1	IC50 > 200000 nM	Non binder
T72252	Caspase-7	B2X4CH	[2-(2,3-Dihydro-1,4-benzodioxin-2-yl)-1,3-thiazol-4-yl](thiophen-2-ylsulfanyl)methanone	Investigative	2821595	C16H11NO3S3	361.5	C1C(OC2=CC=CC=C2O1)C3=NC(=CS3)C(=O)SC4=CC=CS4	IC50 > 200000 nM	Non binder
T72252	Caspase-7	B2XKR6	Ethyl 2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4-methyl-1,3-thiazole-5-carboxylate	Investigative	2821660	C15H15NO4S	305.4	CCOC(=O)C1=C(N=C(S1)C2COC3=CC=CC=C3O2)C	IC50 > 200000 nM	Non binder
T72252	Caspase-7	B4Q1UD	5-[(2S,4S)-4-Methoxy-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione	Investigative	71698719	C15H18N2O6S	354.4	COC[C@@H]1C[C@@H](CN1S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C3=O)OC	IC50 > 500000 nM	Non binder
T72252	Caspase-7	B4UA9Z	5-[(2S,5R)-2,5-Bis(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1-(4-fluorobutyl)indole-2,3-dione	Investigative	71698978	C20H27FN2O6S	442.5	COC[C@H]1CC[C@H](N1S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3=O)CCCCF)COC	IC50 > 500000 nM	Non binder
T72252	Caspase-7	B50MIV	(S)-3-(((9H-Fluoren-9-yl)methoxy)carbonylamino)-5-(methylsulfonyl)pent-4-enoic acid	Investigative	46933163	C21H21NO6S	415.5	CS(=O)(=O)/C=C/[C@H](CC(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13	IC50 > 200000 nM	Non binder
T72252	Caspase-7	B5N2FQ	N-(2-Hydroxy-1-methylindol-3-yl)imino-6-(3-methoxyphenyl)-2-methylpyridine-3-carboxamide	Investigative	137225013	C23H20N4O3	400.4	CC1=C(C=CC(=N1)C2=CC(=CC=C2)OC)C(=O)N=NC3=C(N(C4=CC=CC=C43)C)O	IC50 > 200000 nM	Non binder
T72252	Caspase-7	B7DAM4	N-[(4-Morpholin-4-ylphenyl)methyl]-3-oxo-1,2-benzothiazole-2-carboxamide	Investigative	86279278	C19H19N3O3S	369.4	C1COCCN1C2=CC=C(C=C2)CNC(=O)N3C(=O)C4=CC=CC=C4S3	IC50 = 248000 nM	Non binder
T72252	Caspase-7	B7WV8C	6-(4-Fluorophenyl)-N-(2-hydroxy-1-methylindol-3-yl)imino-2-methylpyridine-3-carboxamide	Investigative	137225056	C22H17FN4O2	388.4	CC1=C(C=CC(=N1)C2=CC=C(C=C2)F)C(=O)N=NC3=C(N(C4=CC=CC=C43)C)O	IC50 > 200000 nM	Non binder
T72252	Caspase-7	B8NC1S	(S)-3-((S)-2-(((9H-Fluoren-9-yl)methoxy)carbonylamino)-3-methylbutanamido)-5-(methylsulfonyl)pent-4-enoic acid	Investigative	46933615	C26H30N2O7S	514.6	CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)/C=C/S(=O)(=O)C)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13	IC50 > 200000 nM	Non binder
T72252	Caspase-7	B8XBO9	5-[(2R,5S)-2,5-Bis(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione	Investigative	71698716	C16H20N2O6S	368.4	COC[C@H]1CC[C@H](N1S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C3=O)COC	IC50 > 500000 nM	Non binder
T72252	Caspase-7	BA1C2M	6-(3-Chlorophenyl)-N-(2-hydroxy-1-methylindol-3-yl)imino-2-methylpyridine-3-carboxamide	Investigative	137225092	C22H17ClN4O2	404.8	CC1=C(C=CC(=N1)C2=CC(=CC=C2)Cl)C(=O)N=NC3=C(N(C4=CC=CC=C43)C)O	IC50 > 200000 nM	Non binder
T72252	Caspase-7	BAUE15	6-(3,4-Dimethoxyphenyl)-N-(2-hydroxy-1-methylindol-3-yl)imino-2-methylpyridine-3-carboxamide	Investigative	137225015	C24H22N4O4	430.5	CC1=C(C=CC(=N1)C2=CC(=C(C=C2)OC)OC)C(=O)N=NC3=C(N(C4=CC=CC=C43)C)O	IC50 > 200000 nM	Non binder
T72252	Caspase-7	BBC37U	N-(2-Hydroxy-1-methylindol-3-yl)imino-6-(2-methoxyphenyl)-2-methylpyridine-3-carboxamide	Investigative	137225014	C23H20N4O3	400.4	CC1=C(C=CC(=N1)C2=CC=CC=C2OC)C(=O)N=NC3=C(N(C4=CC=CC=C43)C)O	IC50 > 200000 nM	Non binder
T72252	Caspase-7	BG7R2X	5-[(2S,5S)-2,5-Bis(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione	Investigative	71698717	C16H20N2O6S	368.4	COC[C@@H]1CC[C@H](N1S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C3=O)COC	IC50 > 500000 nM	Non binder
T72252	Caspase-7	BGPH84	5-[(2S,4R)-4-Methoxy-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione	Investigative	71698718	C15H18N2O6S	354.4	COC[C@@H]1C[C@H](CN1S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C3=O)OC	IC50 > 500000 nM	Non binder
T72252	Caspase-7	BI2HX8	Phenyl 2-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3-thiazole-4-carboxylate	Investigative	2821640	C18H13NO4S	339.4	C1C(OC2=CC=CC=C2O1)C3=NC(=CS3)C(=O)OC4=CC=CC=C4	IC50 > 200000 nM	Non binder
T72252	Caspase-7	BID16E	(4-Chlorophenyl) 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazole-4-carboxylate	Investigative	2821639	C18H12ClNO4S	373.8	C1C(OC2=CC=CC=C2O1)C3=NC(=CS3)C(=O)OC4=CC=C(C=C4)Cl	IC50 > 200000 nM	Non binder
T72252	Caspase-7	BISM19	5-[(2S,4R)-2-(Methoxymethyl)-4-(trifluoromethyl)pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione	Investigative	71698803	C15H15F3N2O5S	392.4	COC[C@@H]1C[C@H](CN1S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C3=O)C(F)(F)F	IC50 > 500000 nM	Non binder
T72252	Caspase-7	BJ23XS	1-Butyl-5-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]sulfonylindole-2,3-dione	Investigative	71698798	C19H26N2O6S	410.5	CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N3C[C@H](C[C@H]3COC)OC)C(=O)C1=O	IC50 > 500000 nM	Non binder
T72252	Caspase-7	BK5SJ6	7-Chloro-5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione	Investigative	118723326	C14H15ClN2O5S	358.8	COC[C@@H]1CCCN1S(=O)(=O)C2=CC3=C(C(=C2)Cl)NC(=O)C3=O	IC50 = 500000 nM	Non binder
T72252	Caspase-7	BKX4W2	(S)-3-((2S,3S)-2-(Benzyloxycarbonylamino)-3-methylpentanamido)-5-(phenylsulfonyl)pent-4-enoic acid	Investigative	46933460	C25H30N2O7S	502.6	CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)O)/C=C/S(=O)(=O)C1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2	IC50 > 200000 nM	Non binder
T72252	Caspase-7	BL58WC	[2-(2,3-Dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone	Investigative	2821632	C16H16N2O4S	332.4	C1COCCN1C(=O)C2=CSC(=N2)C3COC4=CC=CC=C4O3	IC50 > 200000 nM	Non binder
T72252	Caspase-7	BM5DK4	5-[(2S,4S)-4-[2-[2-[2-(2-Hydroxyethoxy)ethoxy]ethoxy]ethoxy]-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione	Investigative	73347421	C22H32N2O10S	516.6	COC[C@@H]1C[C@@H](CN1S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C3=O)OCCOCCOCCOCCO	IC50 > 500000 nM	Non binder
T72252	Caspase-7	BO2E5H	(S)-3-((S)-2-(((9H-Fluoren-9-yl)methoxy)carbonylamino)-3-methylbutanamido)-5-(phenylsulfonyl)pent-4-enoic acid	Investigative	46933464	C31H32N2O7S	576.7	CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)/C=C/S(=O)(=O)C1=CC=CC=C1)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24	IC50 > 200000 nM	Non binder
T72252	Caspase-7	BP48MJ	N-(2-Hydroxy-1-methylindol-3-yl)imino-6-(4-methoxyphenyl)-2-methylpyridine-3-carboxamide	Investigative	137225012	C23H20N4O3	400.4	CC1=C(C=CC(=N1)C2=CC=C(C=C2)OC)C(=O)N=NC3=C(N(C4=CC=CC=C43)C)O	IC50 > 200000 nM	Non binder
T72252	Caspase-7	BS9E0W	N-(2-Hydroxy-1-methylindol-3-yl)imino-2-methyl-6-(2-nitrophenyl)pyridine-3-carboxamide	Investigative	137225083	C22H17N5O4	415.4	CC1=C(C=CC(=N1)C2=CC=CC=C2[N+](=O)[O-])C(=O)N=NC3=C(N(C4=CC=CC=C43)C)O	IC50 > 200000 nM	Non binder
T72252	Caspase-7	BSTH30	(S)-3-((S)-2-(Benzyloxycarbonylamino)-3-methylbutanamido)-5-(methylsulfonyl)pent-4-enoic acid	Investigative	52948065	C19H26N2O7S	426.5	CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)/C=C/S(=O)(=O)C)NC(=O)OCC1=CC=CC=C1	IC50 > 200000 nM	Non binder
T72252	Caspase-7	BTG42I	5-[(2R,5S)-2,5-Bis(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1-butylindole-2,3-dione	Investigative	71698976	C20H28N2O6S	424.5	CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N3[C@H](CC[C@H]3COC)COC)C(=O)C1=O	IC50 > 500000 nM	Non binder
T72252	Caspase-7	BTO3J2	7-Bromo-5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione	Investigative	118723318	C14H15BrN2O5S	403.25	COC[C@@H]1CCCN1S(=O)(=O)C2=CC3=C(C(=C2)Br)NC(=O)C3=O	IC50 = 500000 nM	Non binder
T72252	Caspase-7	BU80DS	5-[(2S,4R)-4-[2-[2-[2-(2-Hydroxyethoxy)ethoxy]ethoxy]ethoxy]-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione	Investigative	73354985	C22H32N2O10S	516.6	COC[C@@H]1C[C@H](CN1S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C3=O)OCCOCCOCCOCCO	IC50 > 500000 nM	Non binder
T72252	Caspase-7	BVDH85	2-(2,3-Dihydro-1,4-benzodioxin-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid	Investigative	2821679	C13H11NO4S	277.3	CC1=C(SC(=N1)C2COC3=CC=CC=C3O2)C(=O)O	IC50 > 200000 nM	Non binder
T72252	Caspase-7	BXPQ21	1-Butyl-5-[(2S,4S)-4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]-2-(methoxymethyl)pyrrolidin-1-yl]sulfonylindole-2,3-dione	Investigative	73353489	C26H40N2O10S	572.7	CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N3C[C@H](C[C@H]3COC)OCCOCCOCCOCCO)C(=O)C1=O	IC50 > 500000 nM	Non binder
T72252	Caspase-7	BYE6C7	7-Iodo-5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione	Investigative	118723310	C14H15IN2O5S	450.25	COC[C@@H]1CCCN1S(=O)(=O)C2=CC3=C(C(=C2)I)NC(=O)C3=O	IC50 = 500000 nM	Non binder