TTD_Target_ID	Target_Name	TTD_Drug_ID	Drug_Name	Drug_Highest_Status	Drug_PubchemID	Molecular_Formula	Molecular_Weight	Canonical_SMILES	Activity	Binder_Type
T98269	Caspase-1	B0GX9N	5-[(2S)-2-(Ethoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione	Investigative	71583079	C15H18N2O5S	338.4	CCOC[C@@H]1CCCN1S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C3=O	IC50 > 500000 nM	Non binder
T98269	Caspase-1	B19MAG	1-(4-Fluorobutyl)-7-iodo-5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonylindole-2,3-dione	Investigative	118723316	C18H22FIN2O5S	524.3	COC[C@@H]1CCCN1S(=O)(=O)C2=CC3=C(C(=C2)I)N(C(=O)C3=O)CCCCF	IC50 = 500000 nM	Non binder
T98269	Caspase-1	B1DH4G	1-[(2S)-3-Fluoro-2-hydroxypropyl]-5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonylindole-2,3-dione	Investigative	44158089	C17H21FN2O6S	400.4	COC[C@@H]1CCCN1S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3=O)C[C@@H](CF)O	IC50 > 500000 nM	Non binder
T98269	Caspase-1	B1RU3Y	(S)-5-[1-(2-Methoxymethylpyrrolidinyl)sulfonyl]-1-(4-vinylbenzyl)isatin	Investigative	44158325	C23H24N2O5S	440.5	COC[C@@H]1CCCN1S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3=O)CC4=CC=C(C=C4)C=C	IC50 > 500000 nM	Non binder
T98269	Caspase-1	B1WV6Y	(S)-1-(4-(2-(4-Methylphenylsulfonyloxy)ethoxy)benzyl)-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatin	Investigative	11541867	C30H32N2O9S2	628.7	CC1=CC=C(C=C1)S(=O)(=O)OCCOC2=CC=C(C=C2)CN3C4=C(C=C(C=C4)S(=O)(=O)N5CCC[C@H]5COC)C(=O)C3=O	IC50 > 500000 nM	Non binder
T98269	Caspase-1	B26FVL	1-Butyl-7-chloro-5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonylindole-2,3-dione	Investigative	118723327	C18H23ClN2O5S	414.9	CCCCN1C2=C(C=C(C=C2Cl)S(=O)(=O)N3CCC[C@H]3COC)C(=O)C1=O	IC50 = 500000 nM	Non binder
T98269	Caspase-1	B38OVC	1-Methyl-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)-1h-indole-2,3-dione	Investigative	5288850	C20H20N2O5S	400.4	CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC[C@H]3COC4=CC=CC=C4)C(=O)C1=O	IC50 > 500000 nM	Non binder
T98269	Caspase-1	B3DLM8	5-[(2S)-2-(Methoxymethyl)pyrrolidin-1-yl]sulfonyl-1-[9-(oxiran-2-yl)nonyl]indole-2,3-dione	Investigative	44157087	C25H36N2O6S	492.6	COC[C@@H]1CCCN1S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3=O)CCCCCCCCCC4CO4	IC50 > 500000 nM	Non binder
T98269	Caspase-1	B3T5HN	(S)-1-(4-(2-(4-Methylphenylsulfonyloxy)ethoxy)benzyl)-5-[1-(2-phenoxymethylpyrrolidinyl)sulfonyl]isatin	Investigative	11628992	C35H34N2O9S2	690.8	CC1=CC=C(C=C1)S(=O)(=O)OCCOC2=CC=C(C=C2)CN3C4=C(C=C(C=C4)S(=O)(=O)N5CCC[C@H]5COC6=CC=CC=C6)C(=O)C3=O	IC50 > 500000 nM	Non binder
T98269	Caspase-1	B4LO3Z	3-Chloro-6-pyridin-4-yl-pyridazine-4-carboxylic acid dimethylamide	Investigative	44264310	C12H11ClN4O	262.69	CN(C)C(=O)C1=CC(=NN=C1Cl)C2=CC=NC=C2	IC50 > 250000 nM	Non binder
T98269	Caspase-1	B5IXL7	3-Benzyloxycarbonylamino-5-methanesulfonylamino-4-oxo-pentanoic acid	Investigative	18354282	C14H18N2O7S	358.37	CS(=O)(=O)NCC(=O)C(CC(=O)O)NC(=O)OCC1=CC=CC=C1	Ki = 735000 nM	Non binder
T98269	Caspase-1	B6BTF8	4-Pyridazinecarboxamide, 3,6-dichloro-N-methyl-	Investigative	44264544	C6H5Cl2N3O	206.03	CNC(=O)C1=CC(=NN=C1Cl)Cl	IC50 > 250000 nM	Non binder
T98269	Caspase-1	B7W1GH	5-Benzenesulfonylamino-3-benzyloxycarbonylamino-4-oxo-pentanoic acid	Investigative	17871463	C19H20N2O7S	420.4	C1=CC=C(C=C1)COC(=O)NC(CC(=O)O)C(=O)CNS(=O)(=O)C2=CC=CC=C2	IC50 = 291000 nM	Non binder
T98269	Caspase-1	B8LZQ0	(S)-1-(4-Methoxybenzyl)-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)-1H-indole-2,3-dione	Investigative	9914167	C27H26N2O6S	506.6	COC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)S(=O)(=O)N4CCC[C@H]4COC5=CC=CC=C5)C(=O)C2=O	IC50 > 500000 nM	Non binder
T98269	Caspase-1	B8OA7E	(S)-5-[1-(2-Methoxymethylpyrrolidinyl)sulfonyl]-1-(4-(tributylstannyl)benzyl)isatin	Investigative	11700402	C33H48N2O5SSn	703.5	CCCC[Sn](CCCC)(CCCC)C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)S(=O)(=O)N4CCC[C@H]4COC)C(=O)C2=O	IC50 > 500000 nM	Non binder
T98269	Caspase-1	B8QV3L	3-Methylsulfanyl-6-pyridin-4-yl-pyridazine-4-carboxylic acid amide	Investigative	44264570	C11H10N4OS	246.29	CSC1=NN=C(C=C1C(=O)N)C2=CC=NC=C2	IC50 > 250000 nM	Non binder
T98269	Caspase-1	B8ZSB5	(S)-5-[1-(2-Phenoxymethylpyrrolidinyl)sulfonyl]-1-(4-(tributylstannyl)benzyl)isatin	Investigative	11614728	C38H50N2O5SSn	765.6	CCCC[Sn](CCCC)(CCCC)C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)S(=O)(=O)N4CCC[C@H]4COC5=CC=CC=C5)C(=O)C2=O	IC50 > 500000 nM	Non binder
T98269	Caspase-1	B9ML6S	5-[(2S)-2-(Methoxymethyl)pyrrolidin-1-yl]sulfonyl-1-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]indole-2,3-dione	Investigative	44157090	C24H26N2O7S	486.5	COC[C@@H]1CCCN1S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3=O)CC4=CC=C(C=C4)OCC5CO5	IC50 > 500000 nM	Non binder
T98269	Caspase-1	B9PA4R	3-Methoxy-6-pyridin-4-yl-pyridazine-4-carboxylic acid amide	Investigative	44264267	C11H10N4O2	230.22	COC1=NN=C(C=C1C(=O)N)C2=CC=NC=C2	IC50 > 250000 nM	Non binder
T98269	Caspase-1	B9U2QJ	3-Chloro-6-(4-chloro-phenyl)-5-methyl-pyridazine-4-carboxylic acid amide	Investigative	12085104	C12H9Cl2N3O	282.12	CC1=C(C(=NN=C1C2=CC=C(C=C2)Cl)Cl)C(=O)N	IC50 > 250000 nM	Non binder
T98269	Caspase-1	B9WXG6	Caspase-3/7 Inhibitor I	Investigative	9840223	C14H16N2O5S	324.35	COC[C@@H]1CCCN1S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C3=O	IC50 = 500000 nM	Non binder
T98269	Caspase-1	BAI56H	1-[[4-(3-Fluoro-2-hydroxypropoxy)phenyl]methyl]-5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonylindole-2,3-dione	Investigative	44158155	C24H27FN2O7S	506.5	COC[C@@H]1CCCN1S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3=O)CC4=CC=C(C=C4)OCC(CF)O	IC50 > 500000 nM	Non binder
T98269	Caspase-1	BAM84C	1-(4-Fluorobutyl)-5-[2-(3-methoxypropyl)pyrrolidin-1-yl]sulfonylindole-2,3-dione	Investigative	71583078	C20H27FN2O5S	426.5	COCCCC1CCCN1S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3=O)CCCCF	IC50 > 500000 nM	Non binder
T98269	Caspase-1	BD94VS	(S)-1-[4-(Allyloxy)benzyl]-5-[1-(2-methoxymethylpyrrolidinyl)-sulfonyl]isatin	Investigative	44158326	C24H26N2O6S	470.5	COC[C@@H]1CCCN1S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3=O)CC4=CC=C(C=C4)OCC=C	IC50 > 500000 nM	Non binder
T98269	Caspase-1	BEGV57	(S)-1-(4-(2-Bromoethoxy)benzyl)-5-[1-(2-phenoxymethylpyrrolidinyl)sulfonyl]isatin	Investigative	11699954	C28H27BrN2O6S	599.5	C1C[C@H](N(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3=O)CC4=CC=C(C=C4)OCCBr)COC5=CC=CC=C5	IC50 > 500000 nM	Non binder
T98269	Caspase-1	BER2V1	3-Benzyloxycarbonylamino-4-oxo-5-(3-phenyl-propane-1-sulfonylamino)-pentanoic acid	Investigative	18354277	C22H26N2O7S	462.5	C1=CC=C(C=C1)CCCS(=O)(=O)NCC(=O)C(CC(=O)O)NC(=O)OCC2=CC=CC=C2	IC50 = 245000 nM	Non binder
T98269	Caspase-1	BEZ68C	5-[(2S)-2-(Ethoxymethyl)pyrrolidin-1-yl]sulfonyl-1-(4-fluorobutyl)indole-2,3-dione	Investigative	71583081	C19H25FN2O5S	412.5	CCOC[C@@H]1CCCN1S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3=O)CCCCF	IC50 > 500000 nM	Non binder
T98269	Caspase-1	BHAE52	(S)-1-Allyl-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatin	Investigative	44158238	C17H20N2O5S	364.4	COC[C@@H]1CCCN1S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3=O)CC=C	IC50 > 500000 nM	Non binder
T98269	Caspase-1	BHSG50	(S)-5-[1-(2-Methoxymethylpyrrolidinyl)sulfonyl]-1-[4-(oxiran-2-yl)benzyl]isatin	Investigative	44157089	C23H24N2O6S	456.5	COC[C@@H]1CCCN1S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3=O)CC4=CC=C(C=C4)C5CO5	IC50 > 500000 nM	Non binder
T98269	Caspase-1	BI4MC7	5-[(2S)-2-(Methoxymethyl)pyrrolidin-1-yl]sulfonyl-1-[2-(oxiran-2-yl)ethyl]indole-2,3-dione	Investigative	44157085	C18H22N2O6S	394.4	COC[C@@H]1CCCN1S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3=O)CCC4CO4	IC50 > 500000 nM	Non binder
T98269	Caspase-1	BJ80GM	(S)-1-(4-Iodobenzyl)-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)isatin	Investigative	11548909	C26H23IN2O5S	602.4	C1C[C@H](N(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3=O)CC4=CC=C(C=C4)I)COC5=CC=CC=C5	IC50 > 500000 nM	Non binder
T98269	Caspase-1	BK5C0F	(S)-1-[(S)-2,3-Dihydroxypropyl]-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatin	Investigative	44158157	C17H22N2O7S	398.4	COC[C@@H]1CCCN1S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3=O)C[C@@H](CO)O	IC50 > 500000 nM	Non binder
T98269	Caspase-1	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
T98269	Caspase-1	BO06DW	1-Butyl-5-[2-(3-methoxypropyl)pyrrolidin-1-yl]sulfonylindole-2,3-dione	Investigative	71582975	C20H28N2O5S	408.5	CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3CCCOC)C(=O)C1=O	IC50 > 500000 nM	Non binder
T98269	Caspase-1	BO30FZ	7-Bromo-1-(4-hydroxybutyl)-5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonylindole-2,3-dione	Investigative	118723325	C18H23BrN2O6S	475.4	COC[C@@H]1CCCN1S(=O)(=O)C2=CC3=C(C(=C2)Br)N(C(=O)C3=O)CCCCO	IC50 = 500000 nM	Non binder
T98269	Caspase-1	BP60SD	1-(3-Fluoropropyl)-7-iodo-5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonylindole-2,3-dione	Investigative	118723315	C17H20FIN2O5S	510.3	COC[C@@H]1CCCN1S(=O)(=O)C2=CC3=C(C(=C2)I)N(C(=O)C3=O)CCCF	IC50 = 500000 nM	Non binder
T98269	Caspase-1	BP69FD	1-[[4-(2-Bromo-1-fluoroethyl)phenyl]methyl]-5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonylindole-2,3-dione	Investigative	44158086	C23H24BrFN2O5S	539.4	COC[C@@H]1CCCN1S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3=O)CC4=CC=C(C=C4)C(CBr)F	IC50 > 500000 nM	Non binder
T98269	Caspase-1	BPFB64	(S)-1-(3,4-Dihydroxybutyl)-5-[1-(2-methoxymethylpyrrolidinyl)-sulfonyl]isatin	Investigative	44158237	C18H24N2O7S	412.5	COC[C@@H]1CCCN1S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3=O)CCC(CO)O	IC50 > 500000 nM	Non binder
T98269	Caspase-1	BPI2Y6	(S)-5-(2-Phenoxymethyl-pyrrolidine-1-sulfonyl)-1H-indole-2,3-dione	Investigative	9821545	C19H18N2O5S	386.4	C1C[C@H](N(C1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C3=O)COC4=CC=CC=C4	IC50 > 500000 nM	Non binder
T98269	Caspase-1	BQ4F8I	(S)-1-(4-(Tert-butyldimethylsilyloxy)benzyl)-5-[1-(2-phenoxymethylpyrrolidinyl)sulfonyl]isatin	Investigative	11664423	C32H38N2O6SSi	606.8	CC(C)(C)[Si](C)(C)OC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)S(=O)(=O)N4CCC[C@H]4COC5=CC=CC=C5)C(=O)C2=O	IC50 > 500000 nM	Non binder
T98269	Caspase-1	BQDY01	7-Fluoro-5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione	Investigative	118723329	C14H15FN2O5S	342.34	COC[C@@H]1CCCN1S(=O)(=O)C2=CC3=C(C(=C2)F)NC(=O)C3=O	IC50 = 500000 nM	Non binder
T98269	Caspase-1	BR49ZL	(S)-3-(Benzyloxycarbonylamino)-5-(3-(naphthalen-1-yl)propanamidooxy)-4-oxopentanoic acid	Investigative	49865248	C26H26N2O7	478.5	C1=CC=C(C=C1)COC(=O)N[C@@H](CC(=O)O)C(=O)CONC(=O)CCC2=CC=CC3=CC=CC=C32	Ki = 298000 nM	Non binder
T98269	Caspase-1	BRB50U	6-Pyridin-4-yl-pyridazine-4-carboxylic acid amide	Investigative	44264266	C10H8N4O	200.2	C1=CN=CC=C1C2=NN=CC(=C2)C(=O)N	IC50 > 250000 nM	Non binder
T98269	Caspase-1	BU6Z8D	3-Carbamoyl-2-chlor-5-(pyrid-4-yl)pyridin	Investigative	13092389	C11H8ClN3O	233.65	C1=CN=CC=C1C2=CC(=C(N=C2)Cl)C(=O)N	IC50 > 250000 nM	Non binder
T98269	Caspase-1	BW68TA	1-Butyl-7-iodo-5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonylindole-2,3-dione	Investigative	118723314	C18H23IN2O5S	506.4	CCCCN1C2=C(C=C(C=C2I)S(=O)(=O)N3CCC[C@H]3COC)C(=O)C1=O	IC50 = 500000 nM	Non binder
T98269	Caspase-1	BX1JZ6	(S)-5-[1-(2-Methoxymethylpyrrolidinyl)sulfonyl]-1-(undec-10-enyl)isatin	Investigative	44158242	C25H36N2O5S	476.6	COC[C@@H]1CCCN1S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3=O)CCCCCCCCCC=C	IC50 > 500000 nM	Non binder
T98269	Caspase-1	BX30LM	1-(4-Hydroxybutyl)-7-iodo-5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonylindole-2,3-dione	Investigative	118723317	C18H23IN2O6S	522.4	COC[C@@H]1CCCN1S(=O)(=O)C2=CC3=C(C(=C2)I)N(C(=O)C3=O)CCCCO	IC50 = 500000 nM	Non binder
T98269	Caspase-1	BX57WL	(S)-1-(But-3-enyl)-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatin	Investigative	44158240	C18H22N2O5S	378.4	COC[C@@H]1CCCN1S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3=O)CCC=C	IC50 > 500000 nM	Non binder
T98269	Caspase-1	BY3E8U	1-[[4-(1-Fluoro-2-hydroxyethyl)phenyl]methyl]-5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonylindole-2,3-dione	Investigative	44158154	C23H25FN2O6S	476.5	COC[C@@H]1CCCN1S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3=O)CC4=CC=C(C=C4)C(CO)F	IC50 > 500000 nM	Non binder
T98269	Caspase-1	BZJ02Q	(S)-1-(4-Fluoro-3-hydroxybutyl)-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatin	Investigative	44157086	C18H23FN2O6S	414.5	COC[C@@H]1CCCN1S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3=O)CCC(CF)O	IC50 > 500000 nM	Non binder