target,target_id,target_uniprot,target_species,ligand,ligand_id,ligand_species,ligand_pubchem_cid,smiles,inchi,inchikey,type,action,action_comment,endogenous,primary_target,concentration_range,affinity_parameter,affinity_high,affinity_median,affinity_low,original_affinity_units,original_affinity_low_nm,original_affinity_median_nm,original_affinity_high_nm,original_affinity_relation,assay_description,receptor_site,ligand_context,pubmed_id Caspase 1,1617,P29466,Human,AS101,437,,135476605,CCCn1c2=N/C(=c\3/cc([nH]n3C)OC(=O)CNc3ccc(c(c3)OC)OC)/N=c2c(=O)n(c1=O)CCC,"InChI=1S/C25H31N7O6/c1-6-10-31-23-21(24(34)32(11-7-2)25(31)35)27-22(28-23)16-13-19(29-30(16)3)38-20(33)14-26-15-8-9-17(36-4)18(12-15)37-5/h8-9,12-13,26,29H,6-7,10-11,14H2,1-5H3/b22-16-",OZNDSRMQISJHIZ-JWGURIENSA-N,Inhibitor,Inhibition,,,,,,,,,,,,,=,,,,17572009, Caspase 1,1617,P29466,Human,Z-YVAD-FMK,5302,,644196,COC(=O)C[C@@H](C(=O)CF)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)OCc1ccccc1)C,"InChI=1S/C31H39FN4O9/c1-18(2)27(30(42)33-19(3)28(40)34-23(25(38)16-32)15-26(39)44-4)36-29(41)24(14-20-10-12-22(37)13-11-20)35-31(43)45-17-21-8-6-5-7-9-21/h5-13,18-19,23-24,27,37H,14-17H2,1-4H3,(H,33,42)(H,34,40)(H,35,43)(H,36,41)/t19-,23-,24-,27-/m0/s1",MVPQJUFFTWWKBT-LBDWYMBGSA-N,Inhibitor,Inhibition,,,,,,,,,,,,,=,,,,12097652, Caspase 1,1617,P29466,Human,pralnacasan,6467,,153270,CCO[C@@H]1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCCN2N1C(=O)[C@H](CCC2=O)NC(=O)c1nccc2c1cccc2,"InChI=1S/C26H29N5O7/c1-2-37-26-18(14-21(33)38-26)29-23(34)19-8-5-13-30-20(32)10-9-17(25(36)31(19)30)28-24(35)22-16-7-4-3-6-15(16)11-12-27-22/h3-4,6-7,11-12,17-19,26H,2,5,8-10,13-14H2,1H3,(H,28,35)(H,29,34)/t17-,18-,19-,26+/m0/s1",CXAGHAZMQSCAKJ-WAHHBDPQSA-N,Inhibitor,Inhibition,,,yes,,pKi,,9.0,,Ki,,1.0,,=,,,,16375749, Caspase 1,1617,P29466,Human,M826,8654,,9851134,CCCCCCN(CC(=O)C(NC(=O)C(n1cc(nc(c1=O)NCc1nonc1C)C(C)(C)C)CC)CC(=O)O)C,"InChI=1S/C28H45N7O6/c1-8-10-11-12-13-34(7)16-22(36)19(14-24(37)38)30-26(39)21(9-2)35-17-23(28(4,5)6)31-25(27(35)40)29-15-20-18(3)32-41-33-20/h17,19,21H,8-16H2,1-7H3,(H,29,31)(H,30,39)(H,37,38)",XIMITGPWYYFUQF-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,7.3,,IC50,,50.0,,=,,,,15686936, Caspase 1,1617,P29466,Human,VRT-043198,9034,,11443029,O=C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)(C)C)NC(=O)c1ccc(c(c1)Cl)N)CC(=O)O,"InChI=1S/C22H29ClN4O6/c1-22(2,3)18(26-19(31)12-6-7-15(24)14(23)9-12)21(33)27-8-4-5-16(27)20(32)25-13(11-28)10-17(29)30/h6-7,9,11,13,16,18H,4-5,8,10,24H2,1-3H3,(H,25,32)(H,26,31)(H,29,30)/t13-,16-,18+/m0/s1",SOZONDBMOYWSRW-QANKJYHBSA-N,Inhibitor,Inhibition,Derived from pro-drug belnacasan,,yes,,pKi,,9.1,,Ki,,0.8,,=,,,,17289835, Caspase 1,1617,P29466,Human,uracil 20,9901,,133081971,O=C1OC([C@H](C1)NC(=O)C1(CC1)n1c(=O)c(NC(=O)c2ccc(cc2C)Nc2ccc3c(c2)cccc3)cn(c1=O)C(C)C)O,"InChI=1S/C33H33N5O7/c1-18(2)37-17-26(29(41)38(32(37)44)33(12-13-33)31(43)36-25-16-27(39)45-30(25)42)35-28(40)24-11-10-22(14-19(24)3)34-23-9-8-20-6-4-5-7-21(20)15-23/h4-11,14-15,17-18,25,30,34,42H,12-13,16H2,1-3H3,(H,35,40)(H,36,43)/t25-,30?/m0/s1",BTGMTHBOODBMHN-SUHMBNCMSA-N,Inhibitor,Inhibition,,,yes,,pIC50,,8.01,,IC50,,9.8,,=,IC50 in a biochemical assay.,,,29648825,