TTD_Target_ID	Target_Name	TTD_Drug_ID	Drug_Name	Drug_Highest_Status	Drug_PubchemID	Molecular_Formula	Molecular_Weight	Canonical_SMILES	Activity	Binder_Type
T57943	Caspase-3	D09QDP	Clorgyline	Approved	4380	C13H15Cl2NO	272.17	CN(CCCOC1=C(C=C(C=C1)Cl)Cl)CC#C	IC50 ~ 100000 nM	Poor binder
T57943	Caspase-3	D0B7EB	Etoposide	Approved	36462	C29H32O13	588.6	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	IC50 ~ 50000 nM	Poor binder
T57943	Caspase-3	D0S2UG	Selegiline	Approved	26757	C13H17N	187.28	C[C@H](CC1=CC=CC=C1)N(C)CC#C	IC50 ~ 100000 nM	Poor binder
T57943	Caspase-3	D0F9FA	L-709049	Terminated	5311139	C23H32N4O8	492.5	C[C@@H](C(=O)N[C@@H](CC(=O)O)C=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)C	IC50 = 190000 nM	Poor binder
T57943	Caspase-3	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 = 133000 nM	Poor binder
T57943	Caspase-3	B0QM8N	(2S)-N-[(1S)-3-Amino-1-cyano-3-oxopropyl]-1-[4-(4-tert-butylphenyl)phenyl]sulfonylpyrrolidine-2-carboxamide	Investigative	127037715	C25H30N4O4S	482.6	CC(C)(C)C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(=O)N)C#N	IC50 ~ 50000 nM	Poor binder
T57943	Caspase-3	B0SYG9	N'-(2-Hydroxybenzylidene)-2-(4-methyl-1-piperazinyl)acetohydrazide	Investigative	135533972	C14H20N4O2	276.33	CN1CCN(CC1)CC(=O)N/N=C/C2=CC=CC=C2O	EC50 ~ 50000 nM	Poor binder
T57943	Caspase-3	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 = 129000 nM	Poor binder
T57943	Caspase-3	B1ZQ7U	6-(3-Bromophenyl)-N-(2-hydroxy-1-methylindol-3-yl)imino-2-methylpyridine-3-carboxamide	Investigative	137225054	C22H17BrN4O2	449.3	CC1=C(C=CC(=N1)C2=CC(=CC=C2)Br)C(=O)N=NC3=C(N(C4=CC=CC=C43)C)O	IC50 = 129500 nM	Poor binder
T57943	Caspase-3	B2AQJ0	(3S)-4-Oxo-3-(pyridin-2-ylformamido)butanoic acid	Investigative	23645257	C10H10N2O4	222.2	C1=CC=NC(=C1)C(=O)N[C@@H](CC(=O)O)C=O	IC50 = 55000 nM	Poor binder
T57943	Caspase-3	B2C8RL	N-[[4-(Aminomethyl)phenyl]methyl]-3-[5-[[[(E)-2-phenylethenyl]sulfonyl-(pyridin-2-ylmethyl)amino]methyl]-1,2,4-oxadiazol-3-yl]benzamide	Investigative	70695295	C32H30N6O4S	594.7	C1=CC=C(C=C1)/C=C/S(=O)(=O)N(CC2=CC=CC=N2)CC3=NC(=NO3)C4=CC(=CC=C4)C(=O)NCC5=CC=C(C=C5)CN	IC50 ~ 80000 nM	Poor binder
T57943	Caspase-3	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 = 94600 nM	Poor binder
T57943	Caspase-3	B2N3BI	(5-Bromothiophen-2-yl)(4-methyl-1H-pyrazol-1-yl)methanone	Investigative	1247468	C9H7BrN2OS	271.14	CC1=CN(N=C1)C(=O)C2=CC=C(S2)Br	IC50 ~ 50000 nM	Poor binder
T57943	Caspase-3	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 = 55000 nM	Poor binder
T57943	Caspase-3	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 = 82000 nM	Poor binder
T57943	Caspase-3	B42ERU	3,3-Difluoro-5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1-propyl-2H-indole	Investigative	44573088	C17H24F2N2O3S	374.4	CCCN1CC(C2=C1C=CC(=C2)S(=O)(=O)N3CCC[C@H]3COC)(F)F	IC50 ~ 100000 nM	Poor binder
T57943	Caspase-3	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 = 163200 nM	Poor binder
T57943	Caspase-3	B56MJD	(S)-1-[3-(3-Fluoropropoxy)propyl]-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatin	Investigative	44572194	C20H27FN2O6S	442.5	COC[C@@H]1CCCN1S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3=O)CCCOCCCF	IC50 ~ 100000 nM	Poor binder
T57943	Caspase-3	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 = 81500 nM	Poor binder
T57943	Caspase-3	B5PV0Z	(4-Benzylpiperazin-1-yl)-acetic acid ethylidene-hydrazide, 5	Investigative	9543561	C15H22N4O	274.36	C/C=N/NC(=O)CN1CCN(CC1)CC2=CC=CC=C2	EC50 ~ 50000 nM	Poor binder
T57943	Caspase-3	B6AB5P	12-Fluoro-7-methyl-4,8-diazatricyclo[7.4.0.0^{2,6}]trideca-1(13),2(6),7,9,11-pentaene-3,5-dione	Investigative	23645146	C12H7FN2O2	230.19	CC1=C2C(=C3C=C(C=CC3=N1)F)C(=O)NC2=O	IC50 = 62800 nM	Poor binder
T57943	Caspase-3	B6N3LA	{(S)-1-[(S)-1-((S)-2-Hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-ethyl]-2-oxo-pyrrolidin-3-yl}-carbamic acid benzyl ester	Investigative	44325871	C19H23N3O7	405.4	C[C@@H](C(=O)N[C@H]1CC(=O)OC1O)N2CC[C@@H](C2=O)NC(=O)OCC3=CC=CC=C3	IC50 ~ 100000 nM	Poor binder
T57943	Caspase-3	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 ~ 50000 nM	Poor binder
T57943	Caspase-3	B7OGD9	(3S)-3-[[(2S)-2-Acetamido-3-methylbutanoyl]amino]-4-[[(2S)-1-[6-hydroxy-1-[[(3S)-2-hydroxy-5-oxooxolan-3-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid	Investigative	56670225	C30H41N5O11	647.7	CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC2=C(C1C(=O)N[C@H]3CC(=O)OC3O)C=CC(=C2)O)NC(=O)C	IC50 = 58600 nM	Poor binder
T57943	Caspase-3	B7PXC9	(3S)-3-Acetamido-4-oxobutanoic acid	Investigative	44343614	C6H9NO4	159.14	CC(=O)N[C@@H](CC(=O)O)C=O	Ki ~ 50000 nM	Poor binder
T57943	Caspase-3	B86AJL	{(S)-1-[((S)-2-Hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-methyl]-2-oxo-piperidin-3-yl}-carbamic acid benzyl ester	Investigative	44325861	C19H23N3O7	405.4	C1C[C@@H](C(=O)N(C1)CC(=O)N[C@H]2CC(=O)OC2O)NC(=O)OCC3=CC=CC=C3	IC50 ~ 100000 nM	Poor binder
T57943	Caspase-3	B8IT5F	[(3R,6S,8As)-3-((S)-2-Hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-5-oxo-hexahydro-thiazolo[3,2-a]pyridin-6-yl]-carbamic acid benzyl ester	Investigative	44325936	C20H23N3O7S	449.5	C1C[C@H]2N([C@@H](CS2)C(=O)N[C@H]3CC(=O)OC3O)C(=O)[C@H]1NC(=O)OCC4=CC=CC=C4	IC50 = 86000 nM	Poor binder
T57943	Caspase-3	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
T57943	Caspase-3	B93QYM	4-Methyl-1H-pyrrolo[3,4-c]quinoline-1,3(2H)-dione	Investigative	611339	C12H8N2O2	212.2	CC1=NC2=CC=CC=C2C3=C1C(=O)NC3=O	IC50 ~ 100000 nM	Poor binder
T57943	Caspase-3	B98JUI	(3S)-3-[[(2S)-2-Acetamido-3-methylbutanoyl]amino]-4-[[(2S)-1-[(2S,3S)-2-[[(3S)-2-hydroxy-5-oxooxolan-3-yl]carbamoyl]-3-pyrimidin-2-yloxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid	Investigative	56670256	C29H41N7O11	663.7	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)OC3=NC=CC=N3)NC(=O)C	IC50 ~ 100000 nM	Poor binder
T57943	Caspase-3	B9GIS6	(3S)-3-[(5-Bromopyridin-3-yl)formamido]-4-oxo-9-phenylnonanoic acid	Investigative	23645259	C21H23BrN2O4	447.3	C1=CC=C(C=C1)CCCCCC(=O)[C@H](CC(=O)O)NC(=O)C2=CC(=CN=C2)Br	IC50 = 96900 nM	Poor binder
T57943	Caspase-3	B9HWU7	5-[(2S,4S)-2-(Methoxymethyl)-4-(trifluoromethyl)pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione	Investigative	71698882	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 = 101000 nM	Poor binder
T57943	Caspase-3	B9M0YW	1-(2-Propynyl)-1H-indole-2,3-dione	Investigative	1909002	C11H7NO2	185.18	C#CCN1C2=CC=CC=C2C(=O)C1=O	IC50 ~ 100000 nM	Poor binder
T57943	Caspase-3	B9TQ0U	6-(4-Chlorophenyl)-N-(2-hydroxy-1-methylindol-3-yl)imino-2-methylpyridine-3-carboxamide	Investigative	137225091	C22H17ClN4O2	404.8	CC1=C(C=CC(=N1)C2=CC=C(C=C2)Cl)C(=O)N=NC3=C(N(C4=CC=CC=C43)C)O	IC50 = 52340 nM	Poor binder
T57943	Caspase-3	B9U7EA	N-[(4-Fluorophenyl)methyl]-N-methyl-2,3-dioxo-1-prop-2-ynylindole-5-sulfonamide	Investigative	134156912	C19H15FN2O4S	386.4	CN(CC1=CC=C(C=C1)F)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3=O)CC#C	IC50 ~ 100000 nM	Poor binder
T57943	Caspase-3	BA30RU	(S)-1-[3-(3-Hydroxypropoxy)propyl]-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatin	Investigative	44573090	C20H28N2O7S	440.5	COC[C@@H]1CCCN1S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3=O)CCCOCCCO	IC50 = 60900 nM	Poor binder
T57943	Caspase-3	BAEZ31	6-(2-Bromophenyl)-N-(2-hydroxy-1-methylindol-3-yl)imino-2-methylpyridine-3-carboxamide	Investigative	137225055	C22H17BrN4O2	449.3	CC1=C(C=CC(=N1)C2=CC=CC=C2Br)C(=O)N=NC3=C(N(C4=CC=CC=C43)C)O	IC50 = 132400 nM	Poor binder
T57943	Caspase-3	BB8DU1	(3S)-3-[[(2S)-2-Acetamido-3-methylbutanoyl]amino]-4-[[(2S)-1-[(2S,3S)-3-(2,2-dimethylpropyl)-2-[[(3S)-2-hydroxy-5-oxooxolan-3-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid	Investigative	54597799	C30H49N5O10	639.7	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)CC(C)(C)C)NC(=O)C	IC50 = 78350 nM	Poor binder
T57943	Caspase-3	BCBT71	Berkedrimane B	Investigative	51723030	C22H33NO6	407.5	CC(C)[C@@H](C(=O)O[C@H]1CCC([C@H]2[C@]1([C@]3(COC(=O)C3=CC2)O)C)(C)C)NC(=O)C	IC50 = 50000 nM	Poor binder
T57943	Caspase-3	BCY14H	N-(4-Bromophenyl)acrylamide	Investigative	263609	C9H8BrNO	226.07	C=CC(=O)NC1=CC=C(C=C1)Br	IC50 ~ 50000 nM	Poor binder
T57943	Caspase-3	BDIK05	2-(4-Benzylpiperazin-1-yl)acetohydrazide	Investigative	9543562	C13H20N4O	248.32	C1CN(CCN1CC2=CC=CC=C2)CC(=O)NN	EC50 ~ 50000 nM	Poor binder
T57943	Caspase-3	BDN38J	(3S)-3-[[(2S)-2-Acetamido-3-methylbutanoyl]amino]-4-[[(2S)-1-[1-[[(3S)-2-hydroxy-5-oxooxolan-3-yl]carbamoyl]-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid	Investigative	56680385	C31H43N5O10	645.7	CC1=CC2=C(C=C1)C(N(CC2)C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)C)C(=O)N[C@H]3CC(=O)OC3O	IC50 ~ 60000 nM	Poor binder
T57943	Caspase-3	BDW2H6	1-[(2,3-Dioxo-1H-indol-5-yl)sulfonyl]-N-phenylpyrrolidine-2-carboxamide	Investigative	22456688	C19H17N3O5S	399.4	C1CC(N(C1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C3=O)C(=O)NC4=CC=CC=C4	IC50 = 140000 nM	Poor binder
T57943	Caspase-3	BFLZ82	{(S)-1-[((S)-2-Hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-methyl]-2-oxo-azepan-3-yl}-carbamic acid benzyl ester	Investigative	44325973	C20H25N3O7	419.4	C1CCN(C(=O)[C@H](C1)NC(=O)OCC2=CC=CC=C2)CC(=O)N[C@H]3CC(=O)OC3O	IC50 = 53000 nM	Poor binder
T57943	Caspase-3	BG8K0C	1-Benzylpiperazine	Investigative	75994	C11H16N2	176.26	C1CN(CCN1)CC2=CC=CC=C2	EC50 ~ 50000 nM	Poor binder
T57943	Caspase-3	BG8Q1U	(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-yloxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid	Investigative	56683064	C28H45N5O11	627.7	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)OC(C)C)NC(=O)C	IC50 ~ 100000 nM	Poor binder
T57943	Caspase-3	BH0PU8	N'-Benzylidene-2-(4-benzyl-1-piperazinyl)acetohydrazide	Investigative	6885304	C20H24N4O	336.4	C1CN(CCN1CC2=CC=CC=C2)CC(=O)N/N=C/C3=CC=CC=C3	EC50 ~ 50000 nM	Poor binder
T57943	Caspase-3	BH1WX7	Ethyl 2-(piperazin-1-yl)acetate	Investigative	207112	C8H16N2O2	172.22	CCOC(=O)CN1CCNCC1	EC50 ~ 50000 nM	Poor binder
T57943	Caspase-3	BHFZ92	8-Mercaptocaffeine	Investigative	764318	C8H10N4O2S	226.26	CN1C2=C(NC1=S)N(C(=O)N(C2=O)C)C	IC50 = 184700 nM	Poor binder
T57943	Caspase-3	BHSZ69	6-(2-Chlorophenyl)-N-(2-hydroxy-1-methylindol-3-yl)imino-2-methylpyridine-3-carboxamide	Investigative	137225044	C22H17ClN4O2	404.8	CC1=C(C=CC(=N1)C2=CC=CC=C2Cl)C(=O)N=NC3=C(N(C4=CC=CC=C43)C)O	IC50 = 63200 nM	Poor binder
T57943	Caspase-3	BI92UF	Berkedrimane A	Investigative	57333875	C22H33NO5	391.5	CC(C)[C@@H](C(=O)O[C@H]1CCC([C@H]2[C@]1([C@H]3COC(=O)C3=CC2)C)(C)C)NC(=O)C	IC50 = 200000 nM	Poor binder
T57943	Caspase-3	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 = 74000 nM	Poor binder
T57943	Caspase-3	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 = 81100 nM	Poor binder
T57943	Caspase-3	BJVN02	6-(4-Bromophenyl)-N-(2-hydroxy-1-methylindol-3-yl)imino-2-methylpyridine-3-carboxamide	Investigative	137225053	C22H17BrN4O2	449.3	CC1=C(C=CC(=N1)C2=CC=C(C=C2)Br)C(=O)N=NC3=C(N(C4=CC=CC=C43)C)O	IC50 = 121700 nM	Poor binder
T57943	Caspase-3	BJYK73	1-Methyl-2,3-dioxoindoline-5-carboxylic acid	Investigative	515951	C10H7NO4	205.17	CN1C2=C(C=C(C=C2)C(=O)O)C(=O)C1=O	IC50 ~ 50000 nM	Poor binder
T57943	Caspase-3	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 = 185400 nM	Poor binder
T57943	Caspase-3	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 = 150000 nM	Poor binder
T57943	Caspase-3	BL97ET	3-[3-[5-[(2S)-2-(Methoxymethyl)pyrrolidin-1-yl]sulfonyl-2,3-dioxoindol-1-yl]propoxy]propyl methanesulfonate	Investigative	44572193	C21H30N2O9S2	518.6	COC[C@@H]1CCCN1S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3=O)CCCOCCCOS(=O)(=O)C	IC50 ~ 100000 nM	Poor binder
T57943	Caspase-3	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 = 69100 nM	Poor binder
T57943	Caspase-3	BO50SK	1,4-Dibenzylpiperazine	Investigative	200601	C18H22N2	266.4	C1CN(CCN1CC2=CC=CC=C2)CC3=CC=CC=C3	EC50 ~ 50000 nM	Poor binder
T57943	Caspase-3	BOT3J2	(E)-Ethyl 4-((2-cyano-2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)vinyl)amino)benzoate	Investigative	2856389	C24H16N4O6S	488.5	CCOC(=O)C1=CC=C(C=C1)N/C=C(\\C#N)/C2=NC(=CS2)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O	IC50 ~ 100000 nM	Poor binder
T57943	Caspase-3	BP9W3T	N-Methyl-N-(2-fluorobenzyl)-2,3-dihydro-2,3-dioxo-1H-indole-5-sulfonamide	Investigative	132969040	C16H13FN2O4S	348.4	CN(CC1=CC=CC=C1F)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C3=O	IC50 = 60960 nM	Poor binder
T57943	Caspase-3	BR1OX4	N-(4-Iodophenyl)-3-oxo-1,2-benzothiazole-2-carboxamide	Investigative	71659757	C14H9IN2O2S	396.2	C1=CC=C2C(=C1)C(=O)N(S2)C(=O)NC3=CC=C(C=C3)I	IC50 ~ 100000 nM	Poor binder
T57943	Caspase-3	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 = 133400 nM	Poor binder
T57943	Caspase-3	BTGH90	Ethyl 2-(4-benzylpiperazin-1-yl)acetate	Investigative	5060109	C15H22N2O2	262.35	CCOC(=O)CN1CCN(CC1)CC2=CC=CC=C2	EC50 ~ 50000 nM	Poor binder
T57943	Caspase-3	BV5MK3	(2S)-N-[(1S)-3-Amino-1-cyano-3-oxopropyl]-1-(4-phenylphenyl)sulfonylpyrrolidine-2-carboxamide	Investigative	127042341	C21H22N4O4S	426.5	C1C[C@H](N(C1)S(=O)(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)N[C@@H](CC(=O)N)C#N	IC50 ~ 50000 nM	Poor binder
T57943	Caspase-3	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 = 128000 nM	Poor binder
T57943	Caspase-3	BW4DQ9	(2S)-N-[(1S)-3-Amino-1-cyano-3-oxopropyl]-1-[4-(4-methoxyphenyl)phenyl]sulfonylpyrrolidine-2-carboxamide	Investigative	127042051	C22H24N4O5S	456.5	COC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(=O)N)C#N	IC50 ~ 50000 nM	Poor binder
T57943	Caspase-3	BY4PK6	N-[(3-Fluorophenyl)methyl]-N-methyl-2,3-dioxo-1-prop-2-ynylindole-5-sulfonamide	Investigative	134142875	C19H15FN2O4S	386.4	CN(CC1=CC(=CC=C1)F)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3=O)CC#C	IC50 = 51490 nM	Poor binder
T57943	Caspase-3	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
T57943	Caspase-3	BZM93A	2-Ethyl-1,2-benzothiazol-3-one	Investigative	337889	C9H9NOS	179.24	CCN1C(=O)C2=CC=CC=C2S1	IC50 = 91240 nM	Poor binder
T57943	Caspase-3	BZRS16	(3S)-3-[(5-Bromopyridin-3-yl)formamido]-4-oxo-5-phenylpentanoic acid	Investigative	9800605	C17H15BrN2O4	391.2	C1=CC=C(C=C1)CC(=O)[C@H](CC(=O)O)NC(=O)C2=CC(=CN=C2)Br	IC50 = 63700 nM	Poor binder
T57943	Caspase-3	D0N6BC	LDN-91946	Investigative	950368	C15H10N2O4S	314.3	C1=CC=C(C=C1)C(=O)C2=C(C3=C(S2)NC(=O)C(=C3)C(=O)O)N	Ki = 100000 nM	Poor binder
T57943	Caspase-3	D0SP2O	1H-Indole-2,3-dione	Investigative	7054	C8H5NO2	147.13	C1=CC=C2C(=C1)C(=O)C(=O)N2	IC50 ~ 100000 nM	Poor binder
T57943	Caspase-3	D0U3JD	1-methyl-1H-indole-2,3-dione	Investigative	16358	C9H7NO2	161.16	CN1C2=CC=CC=C2C(=O)C1=O	IC50 ~ 50000 nM	Poor binder