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 3,1619,P42574,Human,AZ10417808,5143,,135665263,C=CCNC(=O)c1cc(cc2c1[nH]c(Nc1ccc(c(c1)Cl)Cl)nc2=O)[N+](=O)[O-],"InChI=1S/C18H13Cl2N5O4/c1-2-5-21-16(26)11-7-10(25(28)29)8-12-15(11)23-18(24-17(12)27)22-9-3-4-13(19)14(20)6-9/h2-4,6-8H,1,5H2,(H,21,26)(H2,22,23,24,27)",VUBILPOZTRGZJK-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pKi,,6.61,,Ki,,247.0,,=,,,,12490620, Caspase 3,1619,P42574,Human,PAC1,5238,,135421197,C=CCc1cccc(c1O)/C=N\NC(=O)CN1CCN(CC1)Cc1ccccc1,"InChI=1S/C23H28N4O2/c1-2-7-20-10-6-11-21(23(20)29)16-24-25-22(28)18-27-14-12-26(13-15-27)17-19-8-4-3-5-9-19/h2-6,8-11,16,29H,1,7,12-15,17-18H2,(H,25,28)/b24-16-",YQNRVGJCPCNMKT-JLPGSUDCSA-N,Activator,Activation,,,,,,,,,,,,,=,,,,16936720, Caspase 3,1619,P42574,Human,PETCM,5242,,224859,OC(C(Cl)(Cl)Cl)Cc1ccncc1,"InChI=1S/C8H8Cl3NO/c9-8(10,11)7(13)5-6-1-3-12-4-2-6/h1-4,7,13H,5H2",NGTDJJKTGRNNAU-UHFFFAOYSA-N,Activator,Activation,,,,,,,,,,,,,=,,,,12522243, Caspase 3,1619,P42574,Human,Z-DEVD-FMK,5294,,,,,,Inhibitor,Inhibition,,,,,,,,,,,,,=,,,,9774422, Caspase 3,1619,P42574,Human,Z-DQMD-FMK,5295,,,,,,Inhibitor,Inhibition,,,,,,,,,,,,,=,,,,11301346, Caspase 3,1619,P42574,Human,Ac-DEVD-CHO,6527,,644345,O=C[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)CC(=O)O)CCC(=O)O)CC(=O)O,"InChI=1S/C20H30N4O11/c1-9(2)17(20(35)22-11(8-25)6-15(29)30)24-18(33)12(4-5-14(27)28)23-19(34)13(7-16(31)32)21-10(3)26/h8-9,11-13,17H,4-7H2,1-3H3,(H,21,26)(H,22,35)(H,23,34)(H,24,33)(H,27,28)(H,29,30)(H,31,32)/t11-,12-,13-,17-/m0/s1",UMBVAPCONCILTL-MRHIQRDNSA-N,Inhibitor,Inhibition,,,,,pIC50,,9.8,,IC50,,0.16,,,,,,20541849, Caspase 3,1619,P42574,Human,compound 4 [PMID: 12408711],8628,,5327304,O=C[C@@H](NC(=O)c1ccc(nc1)CNS(=O)(=O)c1cccc(c1)C(=O)O)CC(=O)O,"InChI=1S/C18H17N3O8S/c22-10-14(7-16(23)24)21-17(25)12-4-5-13(19-8-12)9-20-30(28,29)15-3-1-2-11(6-15)18(26)27/h1-6,8,10,14,20H,7,9H2,(H,21,25)(H,23,24)(H,26,27)/t14-/m0/s1",MENAYYMPBRSAAE-AWEZNQCLSA-N,Inhibitor,Inhibition,,,yes,,pKi,,7.3,,Ki,,50.0,,=,,,,12408711, Caspase 3,1619,P42574,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,,,yes,,pKi,,8.3,,Ki,,5.0,,=,,,,15686936,