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 tankyrase,3108,O95271,Human,MC2050,10671,,136201717,O=c1[nH]c(SCCN2CCN(CC2)c2ccccn2)nc2c1cccc2,"InChI=1S/C19H21N5OS/c25-18-15-5-1-2-6-16(15)21-19(22-18)26-14-13-23-9-11-24(12-10-23)17-7-3-4-8-20-17/h1-8H,9-14H2,(H,21,22,25)",AFXJUCILCGBUNX-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,6.66,,IC50,,218.0,,=,,,,, tankyrase,3108,O95271,Human,"compound 5 [Tomassi et al., 2020]",10672,,145996538,O=c1[nH]c(SCCN2CCN(CC2)CCSc2nc3ccccc3c(=O)[nH]2)nc2c1cccc2,"InChI=1S/C24H26N6O2S2/c31-21-17-5-1-3-7-19(17)25-23(27-21)33-15-13-29-9-11-30(12-10-29)14-16-34-24-26-20-8-4-2-6-18(20)22(32)28-24/h1-8H,9-16H2,(H,25,27,31)(H,26,28,32)",RHCZTJJJLXGIDT-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,8.21,,IC50,,6.1,,=,,,,, tankyrase,3108,O95271,Human,RK-287107,10673,,137701512,OCCN1CC2(c3c1cc(F)cc3F)CCN(CC2)c1nc2CCCCc2c(=O)[nH]1,"InChI=1S/C22H26F2N4O2/c23-14-11-16(24)19-18(12-14)28(9-10-29)13-22(19)5-7-27(8-6-22)21-25-17-4-2-1-3-15(17)20(30)26-21/h11-12,29H,1-10,13H2,(H,25,26,30)",FZQYCOUBRJEYBC-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,7.84,,IC50,,14.3,,=,,,,30238564, tankyrase,3108,O95271,Human,NVPā€TNKS656,10674,,136237316,COc1ccc(cc1)C(=O)C1CCN(CC1)CC(=O)N(Cc1nc2CCOCc2c(=O)[nH]1)CC1CC1,"InChI=1S/C27H34N4O5/c1-35-21-6-4-19(5-7-21)26(33)20-8-11-30(12-9-20)16-25(32)31(14-18-2-3-18)15-24-28-23-10-13-36-17-22(23)27(34)29-24/h4-7,18,20H,2-3,8-17H2,1H3,(H,28,29,34)",DYGBNAYFDZEYBA-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,7.81,,IC50,,15.5,,=,,,,, tankyrase,3108,O95271,Human,AZ1366,10676,,137213562,COCCNc1ncc(c(c1)C)c1ccc(cc1)c1nc2c(CO)cccc2c(=O)[nH]1,"InChI=1S/C24H24N4O3/c1-15-12-21(25-10-11-31-2)26-13-20(15)16-6-8-17(9-7-16)23-27-22-18(14-29)4-3-5-19(22)24(30)28-23/h3-9,12-13,29H,10-11,14H2,1-2H3,(H,25,26)(H,27,28,30)",PLGIKHVPQHSSON-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,8.15,,IC50,,7.0,,=,,,,25815142, tankyrase,3108,O95271,Human,compound 21 [PMID: 34141085],11600,,72549782,N#Cc1c(cccc1C(F)(F)F)Cn1c(=O)n(C[C@@H]2CC[C@H](CC2)C(=O)O)c(=O)c2c1cccc2C,"InChI=1S/C26H24F3N3O4/c1-15-4-2-7-21-22(15)23(33)32(13-16-8-10-17(11-9-16)24(34)35)25(36)31(21)14-18-5-3-6-20(19(18)12-30)26(27,28)29/h2-7,16-17H,8-11,13-14H2,1H3,(H,34,35)/t16-,17-",QDVBJHFEZRTDHU-QAQDUYKDSA-N,Inhibitor,Inhibition,,,,,pIC50,,8.4,,IC50,,4.0,,=,,,,34141085, tankyrase,3108,O95271,Human,AZ6102,11779,,135905416,C[C@@H]1CN(C[C@@H](N1)C)c1ncc(c(c1)C)c1ccc(cc1)c1nc2c(ccn2C)c(=O)[nH]1,"InChI=1S/C25H28N6O/c1-15-11-22(31-13-16(2)27-17(3)14-31)26-12-21(15)18-5-7-19(8-6-18)23-28-24-20(25(32)29-23)9-10-30(24)4/h5-12,16-17,27H,13-14H2,1-4H3,(H,28,29,32)/t16-,17+",WCPTUQOMNJBIET-CALCHBBNSA-N,Inhibitor,Inhibition,,,,,pIC50,,8.22,,IC50,,6.0,,=,Inhibition of enzymatic activity in vitro,,,25815142, tankyrase,3108,O95271,Human,basroparib,12611,,137017382,FC1=C(C(=CC(=C1)OCCOC)F)N2CCN(CC2)C=3NC(C4=C(N3)N(N=N4)C)=O,"InChI=1S/C18H21F2N7O3/c1-25-16-14(23-24-25)17(28)22-18(21-16)27-5-3-26(4-6-27)15-12(19)9-11(10-13(15)20)30-8-7-29-2/h9-10H,3-8H2,1-2H3,(H,21,22,28)",ALDDPEMJJONRDI-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,8.24,,IC50,,5.8,,=,,,,35849876,