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 poly(ADP-ribose) polymerase 1,2771,P09874,Human,olaparib,7519,,23725625,O=C(N1CCN(CC1)C(=O)c1cc(ccc1F)Cc1n[nH]c(=O)c2c1cccc2)C1CC1,"InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30)",FDLYAMZZIXQODN-UHFFFAOYSA-N,Inhibitor,Inhibition,,,yes,,pIC50,,8.3,,IC50,,5.0,,=,"Assayed using PARP-1 isolated from HeLa cells, in a scintillation proximity ELISA.",,,18800822|12857389, poly(ADP-ribose) polymerase 1,2771,P09874,Human,rucaparib,7736,,9931954,CNCc1ccc(cc1)c1[nH]c2c3c1CCNC(=O)c3cc(c2)F,"InChI=1S/C19H18FN3O/c1-21-10-11-2-4-12(5-3-11)18-14-6-7-22-19(24)15-8-13(20)9-16(23-18)17(14)15/h2-5,8-9,21,23H,6-7,10H2,1H3,(H,22,24)",HMABYWSNWIZPAG-UHFFFAOYSA-N,Inhibitor,Inhibition,,,yes,,pKi,,8.85,,Ki,,1.4,,=,,,,17363489, poly(ADP-ribose) polymerase 1,2771,P09874,Human,AG14361,8094,,9840076,CN(Cc1ccc(cc1)c1nc2c3n1CCNC(=O)c3ccc2)C,"InChI=1S/C19H20N4O/c1-22(2)12-13-6-8-14(9-7-13)18-21-16-5-3-4-15-17(16)23(18)11-10-20-19(15)24/h3-9H,10-12H2,1-2H3,(H,20,24)",SEKJSSBJKFLZIT-UHFFFAOYSA-N,Inhibitor,Inhibition,,,yes,,pKi,,8.24,,Ki,,5.8,,=,,,,12519059, poly(ADP-ribose) polymerase 1,2771,P09874,Human,niraparib,8275,,24958200,NC(=O)c1cccc2c1nn(c2)c1ccc(cc1)[C@@H]1CCCNC1,"InChI=1S/C19H20N4O/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24)/t14-/m1/s1",PCHKPVIQAHNQLW-CQSZACIVSA-N,Inhibitor,Inhibition,,,yes,,pIC50,,8.42,,IC50,,3.8,,=,,,,19873981, poly(ADP-ribose) polymerase 1,2771,P09874,Human,talazoparib,8313,,135565082,Fc1ccc(cc1)[C@H]1N=c2cc(F)cc3c2c([C@@H]1c1ncnn1C)[nH][nH]c3=O,"InChI=1S/C19H14F2N6O/c1-27-18(22-8-23-27)15-16(9-2-4-10(20)5-3-9)24-13-7-11(21)6-12-14(13)17(15)25-26-19(12)28/h2-8,15-16,25H,1H3,(H,26,28)/t15-,16-/m1/s1",IUEWAGVJRJORLA-HZPDHXFCSA-N,Inhibitor,Inhibition,,,yes,,,,,,,,,,=,,,,25195882, poly(ADP-ribose) polymerase 1,2771,P09874,Human,ME0328,8468,,135566764,O=C(N[C@H](c1ccccc1)C)CCc1nc(=O)c2c([nH]1)cccc2,"InChI=1S/C19H19N3O2/c1-13(14-7-3-2-4-8-14)20-18(23)12-11-17-21-16-10-6-5-9-15(16)19(24)22-17/h2-10,13H,11-12H2,1H3,(H,20,23)(H,21,22,24)/t13-/m0/s1",QIHBWVVVRYYYRO-ZDUSSCGKSA-N,Inhibitor,Inhibition,,,,,pIC50,,5.2,,IC50,,6300.0,,=,,,,24188023, poly(ADP-ribose) polymerase 1,2771,P09874,Human,compound 10b [PMID: 26222319],8731,,20854918,COCCCN1Cc2c(C1=O)c(ccc2)C(=O)N,"InChI=1S/C13H16N2O3/c1-18-7-3-6-15-8-9-4-2-5-10(12(14)16)11(9)13(15)17/h2,4-5H,3,6-8H2,1H3,(H2,14,16)",VARCSQSOWLMGTH-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pKd,,7.06,,Kd,,87.0,,=,,,,26222319, poly(ADP-ribose) polymerase 1,2771,P09874,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,,8.03,,IC50,,9.3,,=,,,,, poly(ADP-ribose) polymerase 1,2771,P09874,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,,6.92,,IC50,,119.0,,=,inhibitory capacity of MC2050 in vitro on recombinant PARP1.,,,21365766, poly(ADP-ribose) polymerase 1,2771,P09874,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,,7.05,,IC50,,89.6,,=,,,,, poly(ADP-ribose) polymerase 1,2771,P09874,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,,6.25,,IC50,,559.0,,=,,,,25815142, poly(ADP-ribose) polymerase 1,2771,P09874,Human,venadaparib,11184,,117955898,Fc1ccc(cc1C(=O)N1CC(C1)CNC1CC1)Cc1n[nH]c(=O)c2c1cccc2,"InChI=1S/C23H23FN4O2/c24-20-8-5-14(10-21-17-3-1-2-4-18(17)22(29)27-26-21)9-19(20)23(30)28-12-15(13-28)11-25-16-6-7-16/h1-5,8-9,15-16,25H,6-7,10-13H2,(H,27,29)",YNBQAYKYNYRCCA-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,8.3,,IC50,,5.0,,<,Measuring cellular PARP inhibitory activity in a cellular PAR assay.,,,, poly(ADP-ribose) polymerase 1,2771,P09874,Human,PJ34,11348,,4858,CN(CC(=O)Nc1ccc2c(c1)c1ccccc1c(=O)[nH]2)C,"InChI=1S/C17H17N3O2/c1-20(2)10-16(21)18-11-7-8-15-14(9-11)12-5-3-4-6-13(12)17(22)19-15/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22)",UYJZZVDLGDDTCL-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,7.7,,IC50,,20.0,,=,,,,18713665, poly(ADP-ribose) polymerase 1,2771,P09874,Human,ciclopirox,11349,,2749,Cc1cc(C2CCCCC2)n(c(=O)c1)O,"InChI=1S/C12H17NO2/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10/h7-8,10,15H,2-6H2,1H3",SCKYRAXSEDYPSA-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,6.8,,IC50,,160.0,,=,,,,18713665, poly(ADP-ribose) polymerase 1,2771,P09874,Human,saruparib,11526,,155586901,CNC(=O)c1ccc(cn1)N1CCN(CC1)Cc1cnc2c(c1)[nH]c(=O)c(c2)CC,"InChI=1S/C22H26N6O2/c1-3-16-11-19-20(26-21(16)29)10-15(12-24-19)14-27-6-8-28(9-7-27)17-4-5-18(25-13-17)22(30)23-2/h4-5,10-13H,3,6-9,14H2,1-2H3,(H,23,30)(H,26,29)",WQAVGRAETZEADU-UHFFFAOYSA-N,Inhibitor,Inhibition,,,yes,,pIC50,,8.4,,IC50,,4.0,,=,,,,, poly(ADP-ribose) polymerase 1,2771,P09874,Human,AZD9574,11946,,162524593,CNC(=O)c1nc(F)c(cc1)N1CCN(Cc2c(F)c3c(cc2)nc(C)c(=O)[nH]3)CC1,"InChI=1S/C21H22F2N6O2/c1-12-20(30)27-18-14(25-12)4-3-13(17(18)22)11-28-7-9-29(10-8-28)16-6-5-15(21(31)24-2)26-19(16)23/h3-6H,7-11H2,1-2H3,(H,24,31)(H,27,30)",WXRCLFFPZXJCLS-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,8.3,,IC50,,5.0,,<,,,,, poly(ADP-ribose) polymerase 1,2771,P09874,Human,pamiparib,12345,,135565554,C[C@]12CCCN1Cc1n[nH]c(=O)c3c4c1c2[nH]c4cc(c3)F,"InChI=1S/C16H15FN4O/c1-16-3-2-4-21(16)7-11-13-12-9(15(22)20-19-11)5-8(17)6-10(12)18-14(13)16/h5-6,18H,2-4,7H2,1H3,(H,20,22)/t16-/m1/s1",DENYZIUJOTUUNY-MRXNPFEDSA-N,Inhibitor,Inhibition,,,,,pIC50,,8.89,,IC50,,1.3,,=,,,,33264017, poly(ADP-ribose) polymerase 1,2771,P09874,Human,"compound 9 [Lin et al., 2023]",12806,,168433309,FC1=CC=C(CC2=NNC(=O)C3=C2C=CC=C3)C=C1C(=O)N4CCC5=NC(OCCCN6CCCCC6)=NC=C5C4,"InChI=1S/C31H33FN6O3/c32-26-10-9-21(18-28-23-7-2-3-8-24(23)29(39)36-35-28)17-25(26)30(40)38-15-11-27-22(20-38)19-33-31(34-27)41-16-6-14-37-12-4-1-5-13-37/h2-3,7-10,17,19H,1,4-6,11-16,18,20H2,(H,36,39)",FGGDDPHGBCQQLG-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,,,,,,,,,=,,,,, poly(ADP-ribose) polymerase 1,2771,P09874,Human,lerzeparib,12885,,155033943,FC=1C=C2C=3C(=C(NC3C1)C4=CC=C(C=C4)[C@@]5(NCCC5)C)CONC2=O,"InChI=1S/C21H20FN3O2/c1-21(7-2-8-23-21)13-5-3-12(4-6-13)19-16-11-27-25-20(26)15-9-14(22)10-17(24-19)18(15)16/h3-6,9-10,23-24H,2,7-8,11H2,1H3,(H,25,26)/t21-/m1/s1",FBKICCXLQKLXAZ-OAQYLSRUSA-N,Inhibitor,Inhibition,,,,,pIC50,,8.55,,IC50,,2.8,,=,,,,, poly(ADP-ribose) polymerase 1,2771,P09874,Human,dual VEGFR/PARP inhibitor 14b,12905,,,NC(C1=CC=CC2=C1N=C(C3=C(C)C=CC(NC4=NC=CC(N(C5=CC6=NN(C)C(C)=C6C=C5)C)=N4)=C3)N2)=O,"InChI=1S/C29H27N9O/c1-16-8-9-18(14-22(16)28-33-23-7-5-6-21(27(30)39)26(23)35-28)32-29-31-13-12-25(34-29)37(3)19-10-11-20-17(2)38(4)36-24(20)15-19/h5-15H,1-4H3,(H2,30,39)(H,33,35)(H,31,32,34)",DCYHJVFMNYSPNT-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,7.22,,IC50,,60.9,,=,,,,37616488, poly(ADP-ribose) polymerase 1,2771,P09874,Human,KU0058948,13125,,11291932,O=C(C1=CC(CC2=NNC(=O)C3=CC=CC=C23)=CC=C1F)N4CCCNCC4,"InChI=1S/C21H21FN4O2/c22-18-7-6-14(12-17(18)21(28)26-10-3-8-23-9-11-26)13-19-15-4-1-2-5-16(15)20(27)25-24-19/h1-2,4-7,12,23H,3,8-11,13H2,(H,25,27)",HGEPGGJUGUMFHT-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pKd,,7.72,,Kd,,19.0,,=,Binding affinity determined by isothermal titration calorimetry.,,,19354255,