Compile Data Set for Download or QSAR

Found 280 hits of ec50 data for polymerid = 232   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Poly [ADP-ribose] polymerase 1 (Homo sapiens (human))	BDBM50251661 (2-(2-(pyrrolidin-1-yl)propan-2-yl)-1H-benzo[d]imid...) Show SMILES CC(C)(N1CCCC1)c1nc2cccc(C(N)=O)c2[nH]1 Show InChI InChI=1S/C15H20N4O/c1-15(2,19-8-3-4-9-19)14-17-11-7-5-6-10(13(16)20)12(11)18-14/h5-7H,3-4,8-9H2,1-2H3,(H2,16,20)(H,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.900	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 (unknown origin) in cell based assay				Bioorg Med Chem Lett 18: 3955-8 (2008) Article DOI: 10.1016/j.bmcl.2008.06.023 BindingDB Entry DOI: 10.7270/Q24F1QJK
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (human))	BDBM50300018 (2-(4-(Oxazol-5-yl)phenyl)-1H-benzo[d]imidazole-4-c...) Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1cnco1 Show InChI InChI=1S/C17H12N4O2/c18-16(22)12-2-1-3-13-15(12)21-17(20-13)11-6-4-10(5-7-11)14-8-19-9-23-14/h1-9H,(H2,18,22)(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.990	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 in human C41 cells after 30 mins by cell-based assay				J Med Chem 52: 6803-13 (2009) Article DOI: 10.1021/jm900697r BindingDB Entry DOI: 10.7270/Q2DN4548
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (human))	BDBM50315779 ((S)-2-(2-Fluoro-4-(pyrrolidin-2-yl)phenyl)-1H-benz...) Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1F)[C@@H]1CCCN1 Show InChI InChI=1S/C18H17FN4O/c19-13-9-10(14-5-2-8-21-14)6-7-11(13)18-22-15-4-1-3-12(17(20)24)16(15)23-18/h1,3-4,6-7,9,14,21H,2,5,8H2,(H2,20,24)(H,22,23)/t14-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 in human C41 cells by FITC-conjugated DAPI staining				J Med Chem 53: 3142-53 (2010) Article DOI: 10.1021/jm901775y BindingDB Entry DOI: 10.7270/Q2N879XR
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (human))	BDBM50315793 (6-Fluoro-2-(4-piperidin-2-ylphenyl)-1H-benzimidazo...) Show SMILES NC(=O)c1cc(F)cc2[nH]c(nc12)-c1ccc(cc1)C1CCCCN1 Show InChI InChI=1S/C19H19FN4O/c20-13-9-14(18(21)25)17-16(10-13)23-19(24-17)12-6-4-11(5-7-12)15-3-1-2-8-22-15/h4-7,9-10,15,22H,1-3,8H2,(H2,21,25)(H,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 in human C41 cells by FITC-conjugated DAPI staining				J Med Chem 53: 3142-53 (2010) Article DOI: 10.1021/jm901775y BindingDB Entry DOI: 10.7270/Q2N879XR
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (human))	BDBM50315792 (6-Fluoro-2-(2-fluoro-4-pyrrolidin-2-ylphenyl)-1H-b...) Show SMILES NC(=O)c1cc(F)cc2[nH]c(nc12)-c1ccc(cc1F)C1CCCN1 Show InChI InChI=1S/C18H16F2N4O/c19-10-7-12(17(21)25)16-15(8-10)23-18(24-16)11-4-3-9(6-13(11)20)14-2-1-5-22-14/h3-4,6-8,14,22H,1-2,5H2,(H2,21,25)(H,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 in human C41 cells by FITC-conjugated DAPI staining				J Med Chem 53: 3142-53 (2010) Article DOI: 10.1021/jm901775y BindingDB Entry DOI: 10.7270/Q2N879XR
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (human))	BDBM50387946 (CHEMBL2058928 | US9283222, 536) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C23H24FN7O2/c24-18-5-4-15(14-19-20-16(3-1-6-25-20)21(32)29-28-19)13-17(18)22(33)30-9-11-31(12-10-30)23-26-7-2-8-27-23/h2,4-5,7-8,13,25H,1,3,6,9-12,14H2,(H,29,32)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 in H202-stimulated human C41 cells incubated for 30 mins prior to H2O2-treatment measured after 10 mins by FITC-based immunostain...				Bioorg Med Chem 20: 4635-45 (2012) Article DOI: 10.1016/j.bmc.2012.06.021 BindingDB Entry DOI: 10.7270/Q2PN96P7
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (human))	BDBM50251657 (2-(2-(methylamino)propan-2-yl)-1H-benzo[d]imidazol...) Show SMILES CNC(C)(C)c1nc2cccc(C(N)=O)c2[nH]1 Show InChI InChI=1S/C12H16N4O/c1-12(2,14-3)11-15-8-6-4-5-7(10(13)17)9(8)16-11/h4-6,14H,1-3H3,(H2,13,17)(H,15,16)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.30	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 (unknown origin) in cell based assay				Bioorg Med Chem Lett 18: 3955-8 (2008) Article DOI: 10.1016/j.bmcl.2008.06.023 BindingDB Entry DOI: 10.7270/Q24F1QJK
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (human))	BDBM50387944 (CHEMBL2058926 | US9283222, 545) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)c1ccccn1 Show InChI InChI=1S/C24H25FN6O2/c25-19-7-6-16(15-20-22-17(4-3-9-27-22)23(32)29-28-20)14-18(19)24(33)31-12-10-30(11-13-31)21-5-1-2-8-26-21/h1-2,5-8,14,27H,3-4,9-13,15H2,(H,29,32)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.40	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 in H202-stimulated human C41 cells incubated for 30 mins prior to H2O2-treatment measured after 10 mins by FITC-based immunostain...				Bioorg Med Chem 20: 4635-45 (2012) Article DOI: 10.1016/j.bmc.2012.06.021 BindingDB Entry DOI: 10.7270/Q2PN96P7
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (human))	BDBM50387942 (CHEMBL2058923 | US9283222, 546) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)c1ccccc1 Show InChI InChI=1S/C25H26FN5O2/c26-21-9-8-17(16-22-23-19(7-4-10-27-23)24(32)29-28-22)15-20(21)25(33)31-13-11-30(12-14-31)18-5-2-1-3-6-18/h1-3,5-6,8-9,15,27H,4,7,10-14,16H2,(H,29,32)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.70	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 in H202-stimulated human C41 cells incubated for 30 mins prior to H2O2-treatment measured after 10 mins by FITC-based immunostain...				Bioorg Med Chem 20: 4635-45 (2012) Article DOI: 10.1016/j.bmc.2012.06.021 BindingDB Entry DOI: 10.7270/Q2PN96P7
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (human))	BDBM50251658 (2-(2-(dimethylamino)propan-2-yl)-1H-benzo[d]imidaz...) Show SMILES CN(C)C(C)(C)c1nc2cccc(C(N)=O)c2[nH]1 Show InChI InChI=1S/C13H18N4O/c1-13(2,17(3)4)12-15-9-7-5-6-8(11(14)18)10(9)16-12/h5-7H,1-4H3,(H2,14,18)(H,15,16)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.80	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 (unknown origin) in cell based assay				Bioorg Med Chem Lett 18: 3955-8 (2008) Article DOI: 10.1016/j.bmcl.2008.06.023 BindingDB Entry DOI: 10.7270/Q24F1QJK
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (human))	BDBM50315784 (2-(4-(1-Methylpiperidin-2-yl)phenyl)-1H-benzimidaz...) Show SMILES CN1CCCCC1c1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O Show InChI InChI=1S/C20H22N4O/c1-24-12-3-2-7-17(24)13-8-10-14(11-9-13)20-22-16-6-4-5-15(19(21)25)18(16)23-20/h4-6,8-11,17H,2-3,7,12H2,1H3,(H2,21,25)(H,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 in human C41 cells by FITC-conjugated DAPI staining				J Med Chem 53: 3142-53 (2010) Article DOI: 10.1021/jm901775y BindingDB Entry DOI: 10.7270/Q2N879XR
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (human))	BDBM27135 (2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...) Show SMILES C[C@@]1(CCCN1)c1nc2cccc(C(N)=O)c2[nH]1 Show InChI InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 in human C41 cells after 30 mins by cell-based assay				J Med Chem 52: 6803-13 (2009) Article DOI: 10.1021/jm900697r BindingDB Entry DOI: 10.7270/Q2DN4548
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 1 (Homo sapiens (human))	BDBM50315795 (6-Fluoro-2-(2-fluoro-4-piperidin-2-ylphenyl)-1H-be...) Show SMILES NC(=O)c1cc(F)cc2[nH]c(nc12)-c1ccc(cc1F)C1CCCCN1 Show InChI InChI=1S/C19H18F2N4O/c20-11-8-13(18(22)26)17-16(9-11)24-19(25-17)12-5-4-10(7-14(12)21)15-3-1-2-6-23-15/h4-5,7-9,15,23H,1-3,6H2,(H2,22,26)(H,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 in human C41 cells by FITC-conjugated DAPI staining				J Med Chem 53: 3142-53 (2010) Article DOI: 10.1021/jm901775y BindingDB Entry DOI: 10.7270/Q2N879XR
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (human))	BDBM50251621 (2-(2-(cyclopropylmethylamino)propan-2-yl)-1H-benzo...) Show SMILES CC(C)(NCC1CC1)c1nc2cccc(C(N)=O)c2[nH]1 Show InChI InChI=1S/C15H20N4O/c1-15(2,17-8-9-6-7-9)14-18-11-5-3-4-10(13(16)20)12(11)19-14/h3-5,9,17H,6-8H2,1-2H3,(H2,16,20)(H,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 (unknown origin) in cell based assay				Bioorg Med Chem Lett 18: 3955-8 (2008) Article DOI: 10.1016/j.bmcl.2008.06.023 BindingDB Entry DOI: 10.7270/Q24F1QJK
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (human))	BDBM50315790 (6-Fluoro-2-(4-pyrrolidin-2-ylphenyl)-1H-benzimidaz...) Show SMILES NC(=O)c1cc(F)cc2[nH]c(nc12)-c1ccc(cc1)C1CCCN1 Show InChI InChI=1S/C18H17FN4O/c19-12-8-13(17(20)24)16-15(9-12)22-18(23-16)11-5-3-10(4-6-11)14-2-1-7-21-14/h3-6,8-9,14,21H,1-2,7H2,(H2,20,24)(H,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 in human C41 cells by FITC-conjugated DAPI staining				J Med Chem 53: 3142-53 (2010) Article DOI: 10.1021/jm901775y BindingDB Entry DOI: 10.7270/Q2N879XR
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (human))	BDBM50251620 (2-(2-(isopropylamino)propan-2-yl)-1H-benzo[d]imida...) Show SMILES CC(C)NC(C)(C)c1nc2cccc(C(N)=O)c2[nH]1 Show InChI InChI=1S/C14H20N4O/c1-8(2)18-14(3,4)13-16-10-7-5-6-9(12(15)19)11(10)17-13/h5-8,18H,1-4H3,(H2,15,19)(H,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 (unknown origin) in cell based assay				Bioorg Med Chem Lett 18: 3955-8 (2008) Article DOI: 10.1016/j.bmcl.2008.06.023 BindingDB Entry DOI: 10.7270/Q24F1QJK
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (human))	BDBM50300020 (2-(4-(1H-Imidazol-2-yl)phenyl)-1H-benzo[d]imidazol...) Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1ncc[nH]1 Show InChI InChI=1S/C17H13N5O/c18-15(23)12-2-1-3-13-14(12)22-17(21-13)11-6-4-10(5-7-11)16-19-8-9-20-16/h1-9H,(H2,18,23)(H,19,20)(H,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.20	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 in human C41 cells after 30 mins by cell-based assay				J Med Chem 52: 6803-13 (2009) Article DOI: 10.1021/jm900697r BindingDB Entry DOI: 10.7270/Q2DN4548
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (human))	BDBM27566 (4-({3-[(4-cyclopropanecarbonylpiperazin-1-yl)carbo...) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)C1CC1 Show InChI 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)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	2.5	n/a	n/a	n/a	n/a
Universit£ di Milano Curated by ChEMBL					Assay Description Inhibition of PARP-1 in human HeLa cells assessed as decrease of H2O2-induced PARylation after 3 hrs by fluorescence assay				Bioorg Med Chem 22: 1089-103 (2014) Article DOI: 10.1016/j.bmc.2013.12.031 BindingDB Entry DOI: 10.7270/Q2JS9RX4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 1 (Homo sapiens (human))	BDBM50084621 (BMN 673 | TALAZOPARIB | Talazoparib) Show SMILES Cn1ncnc1[C@@H]1[C@H](Nc2cc(F)cc3c2c1n[nH]c3=O)c1ccc(F)cc1 Show InChI 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/h2-8,15-16,24H,1H3,(H,26,28)/t15-,16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	2.5	n/a	n/a	n/a	n/a
BioMarin Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of PARP in human LoVo cells assessed as inhibition of poly(ADP)-ribose polymerization for 30 mins by fluorescence assay				J Med Chem 59: 335-57 (2016) Article DOI: 10.1021/acs.jmedchem.5b01498 BindingDB Entry DOI: 10.7270/Q2K35WJR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 1 (Homo sapiens (human))	BDBM50315780 (2-(4-Pyrrolidin-2-ylphenyl)-1H-benzimidazole-4-car...) Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)C1CCCN1 Show InChI InChI=1S/C18H18N4O/c19-17(23)13-3-1-4-15-16(13)22-18(21-15)12-8-6-11(7-9-12)14-5-2-10-20-14/h1,3-4,6-9,14,20H,2,5,10H2,(H2,19,23)(H,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 in human C41 cells by FITC-conjugated DAPI staining				J Med Chem 53: 3142-53 (2010) Article DOI: 10.1021/jm901775y BindingDB Entry DOI: 10.7270/Q2N879XR
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (human))	BDBM50251619 (2-(2-(propylamino)propan-2-yl)-1H-benzo[d]imidazol...) Show SMILES CCCNC(C)(C)c1nc2cccc(C(N)=O)c2[nH]1 Show InChI InChI=1S/C14H20N4O/c1-4-8-16-14(2,3)13-17-10-7-5-6-9(12(15)19)11(10)18-13/h5-7,16H,4,8H2,1-3H3,(H2,15,19)(H,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 (unknown origin) in cell based assay				Bioorg Med Chem Lett 18: 3955-8 (2008) Article DOI: 10.1016/j.bmcl.2008.06.023 BindingDB Entry DOI: 10.7270/Q24F1QJK
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (human))	BDBM27119 (2-(1-propylpiperidin-4-yl)-1H-1,3-benzodiazole-4-c...) Show SMILES CCCN1CCC(CC1)c1nc2cccc(C(N)=O)c2[nH]1 Show InChI InChI=1S/C16H22N4O/c1-2-8-20-9-6-11(7-10-20)16-18-13-5-3-4-12(15(17)21)14(13)19-16/h3-5,11H,2,6-10H2,1H3,(H2,17,21)(H,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 in human C41 cells after 30 mins by cell-based assay				J Med Chem 52: 6803-13 (2009) Article DOI: 10.1021/jm900697r BindingDB Entry DOI: 10.7270/Q2DN4548
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 1 (Homo sapiens (human))	BDBM50315797 ((R)-2-(2-Fluoro-4-piperidin-2-yl-phenyl)-1H-benzim...) Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1F)[C@H]1CCCCN1 Show InChI InChI=1S/C19H19FN4O/c20-14-10-11(15-5-1-2-9-22-15)7-8-12(14)19-23-16-6-3-4-13(18(21)25)17(16)24-19/h3-4,6-8,10,15,22H,1-2,5,9H2,(H2,21,25)(H,23,24)/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 in human C41 cells by FITC-conjugated DAPI staining				J Med Chem 53: 3142-53 (2010) Article DOI: 10.1021/jm901775y BindingDB Entry DOI: 10.7270/Q2N879XR
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (human))	BDBM50251695 (2-(2-(piperidin-1-yl)propan-2-yl)-1H-benzo[d]imida...) Show SMILES CC(C)(N1CCCCC1)c1nc2cccc(C(N)=O)c2[nH]1 Show InChI InChI=1S/C16H22N4O/c1-16(2,20-9-4-3-5-10-20)15-18-12-8-6-7-11(14(17)21)13(12)19-15/h6-8H,3-5,9-10H2,1-2H3,(H2,17,21)(H,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.10	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 (unknown origin) in cell based assay				Bioorg Med Chem Lett 18: 3955-8 (2008) Article DOI: 10.1016/j.bmcl.2008.06.023 BindingDB Entry DOI: 10.7270/Q24F1QJK
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (human))	BDBM50387945 (CHEMBL2058927 | US9283222, 511) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)c1cnccn1 Show InChI InChI=1S/C23H24FN7O2/c24-18-4-3-15(13-19-21-16(2-1-5-27-21)22(32)29-28-19)12-17(18)23(33)31-10-8-30(9-11-31)20-14-25-6-7-26-20/h3-4,6-7,12,14,27H,1-2,5,8-11,13H2,(H,29,32)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.30	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 in H202-stimulated human C41 cells incubated for 30 mins prior to H2O2-treatment measured after 10 mins by FITC-based immunostain...				Bioorg Med Chem 20: 4635-45 (2012) Article DOI: 10.1016/j.bmc.2012.06.021 BindingDB Entry DOI: 10.7270/Q2PN96P7
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (human))	BDBM27566 (4-({3-[(4-cyclopropanecarbonylpiperazin-1-yl)carbo...) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)C1CC1 Show InChI 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)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	3.60	n/a	n/a	n/a	n/a
BioMarin Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of PARP in human LoVo cells assessed as inhibition of poly(ADP)-ribose polymerization for 30 mins by fluorescence assay				J Med Chem 59: 335-57 (2016) Article DOI: 10.1021/acs.jmedchem.5b01498 BindingDB Entry DOI: 10.7270/Q2K35WJR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 1 (Homo sapiens (human))	BDBM50300021 (2-(4-(Thiazol-4-yl)phenyl)-1H-benzo[d]imidazole-4-...) Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1cscn1 Show InChI InChI=1S/C17H12N4OS/c18-16(22)12-2-1-3-13-15(12)21-17(20-13)11-6-4-10(5-7-11)14-8-23-9-19-14/h1-9H,(H2,18,22)(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.70	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 in human C41 cells after 30 mins by cell-based assay				J Med Chem 52: 6803-13 (2009) Article DOI: 10.1021/jm900697r BindingDB Entry DOI: 10.7270/Q2DN4548
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (human))	BDBM50300019 (2-(4-(1H-Imidazol-5-yl)phenyl)-1H-benzo[d]imidazol...) Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1c[nH]cn1 Show InChI InChI=1S/C17H13N5O/c18-16(23)12-2-1-3-13-15(12)22-17(21-13)11-6-4-10(5-7-11)14-8-19-9-20-14/h1-9H,(H2,18,23)(H,19,20)(H,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.70	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 in human C41 cells after 30 mins by cell-based assay				J Med Chem 52: 6803-13 (2009) Article DOI: 10.1021/jm900697r BindingDB Entry DOI: 10.7270/Q2DN4548
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (human))	BDBM50300008 (2-(4-(1,3,4-Oxadiazol-2-yl)phenyl)-1H-benzo[d]imid...) Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1nnco1 Show InChI InChI=1S/C16H11N5O2/c17-14(22)11-2-1-3-12-13(11)20-15(19-12)9-4-6-10(7-5-9)16-21-18-8-23-16/h1-8H,(H2,17,22)(H,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.70	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 in human C41 cells after 30 mins by cell-based assay				J Med Chem 52: 6803-13 (2009) Article DOI: 10.1021/jm900697r BindingDB Entry DOI: 10.7270/Q2DN4548
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (human))	BDBM50145101 (CHEMBL3763674) Show SMILES Fc1ccc(cc1)C1C(Nc2cccc3c2c1n[nH]c3=O)c1ccc(CN2CCC2)cc1 Show InChI InChI=1S/C26H23FN4O/c27-19-11-9-17(10-12-19)22-24(18-7-5-16(6-8-18)15-31-13-2-14-31)28-21-4-1-3-20-23(21)25(22)29-30-26(20)32/h1,3-12,22,24,28H,2,13-15H2,(H,30,32)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.80	n/a	n/a	n/a	n/a
BioMarin Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of PARP in human LoVo cells assessed as inhibition of poly(ADP)-ribose polymerization for 30 mins by fluorescence assay				J Med Chem 59: 335-57 (2016) Article DOI: 10.1021/acs.jmedchem.5b01498 BindingDB Entry DOI: 10.7270/Q2K35WJR
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (human))	BDBM50315782 (2-(4-(1-Methylpyrrolidin-3-yl)phenyl)-1H-benzimida...) Show SMILES CN1CCC(C1)c1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O Show InChI InChI=1S/C19H20N4O/c1-23-10-9-14(11-23)12-5-7-13(8-6-12)19-21-16-4-2-3-15(18(20)24)17(16)22-19/h2-8,14H,9-11H2,1H3,(H2,20,24)(H,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 in human C41 cells by FITC-conjugated DAPI staining				J Med Chem 53: 3142-53 (2010) Article DOI: 10.1021/jm901775y BindingDB Entry DOI: 10.7270/Q2N879XR
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (human))	BDBM50315781 (2-(4-(1-Methylpyrrolidin-2-yl)phenyl)-1H-benzimida...) Show SMILES CN1CCCC1c1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O Show InChI InChI=1S/C19H20N4O/c1-23-11-3-6-16(23)12-7-9-13(10-8-12)19-21-15-5-2-4-14(18(20)24)17(15)22-19/h2,4-5,7-10,16H,3,6,11H2,1H3,(H2,20,24)(H,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 in human C41 cells by FITC-conjugated DAPI staining				J Med Chem 53: 3142-53 (2010) Article DOI: 10.1021/jm901775y BindingDB Entry DOI: 10.7270/Q2N879XR
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (human))	BDBM50145214 (2-(4-((methylamino)methyl)phenyl)-1H-benzo[d]imida...) Show SMILES CNCc1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O Show InChI InChI=1S/C16H16N4O/c1-18-9-10-5-7-11(8-6-10)16-19-13-4-2-3-12(15(17)21)14(13)20-16/h2-8,18H,9H2,1H3,(H2,17,21)(H,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 in human C41 cells by FITC-conjugated DAPI staining				J Med Chem 53: 3142-53 (2010) Article DOI: 10.1021/jm901775y BindingDB Entry DOI: 10.7270/Q2N879XR
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (human))	BDBM50315779 ((S)-2-(2-Fluoro-4-(pyrrolidin-2-yl)phenyl)-1H-benz...) Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1F)[C@@H]1CCCN1 Show InChI InChI=1S/C18H17FN4O/c19-13-9-10(14-5-2-8-21-14)6-7-11(13)18-22-15-4-1-3-12(17(20)24)16(15)23-18/h1,3-4,6-7,9,14,21H,2,5,8H2,(H2,20,24)(H,22,23)/t14-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 in human C41 cells by FITC-conjugated DAPI staining				J Med Chem 53: 3142-53 (2010) Article DOI: 10.1021/jm901775y BindingDB Entry DOI: 10.7270/Q2N879XR
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (human))	BDBM50315802 (2-(4-Piperidin-2-ylphenyl)-1H-benzimidazole-4-carb...) Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)C1CCCCN1 Show InChI InChI=1S/C19H20N4O/c20-18(24)14-4-3-6-16-17(14)23-19(22-16)13-9-7-12(8-10-13)15-5-1-2-11-21-15/h3-4,6-10,15,21H,1-2,5,11H2,(H2,20,24)(H,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 in human C41 cells by FITC-conjugated DAPI staining				J Med Chem 53: 3142-53 (2010) Article DOI: 10.1021/jm901775y BindingDB Entry DOI: 10.7270/Q2N879XR
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (human))	BDBM50251622 (2-(2-(cyclopentylamino)propan-2-yl)-1H-benzo[d]imi...) Show SMILES CC(C)(NC1CCCC1)c1nc2cccc(C(N)=O)c2[nH]1 Show InChI InChI=1S/C16H22N4O/c1-16(2,20-10-6-3-4-7-10)15-18-12-9-5-8-11(14(17)21)13(12)19-15/h5,8-10,20H,3-4,6-7H2,1-2H3,(H2,17,21)(H,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 (unknown origin) in cell based assay				Bioorg Med Chem Lett 18: 3955-8 (2008) Article DOI: 10.1016/j.bmcl.2008.06.023 BindingDB Entry DOI: 10.7270/Q24F1QJK
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (human))	BDBM50446130 (AG-014699 | AG-14447 | RUCAPARIB | RUCAPARIB CAMSY...) Show SMILES CNCc1ccc(cc1)-c1[nH]c2cc(F)cc3C(=O)NCCc1c23 Show InChI 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)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	4.70	n/a	n/a	n/a	n/a
BioMarin Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of PARP in human LoVo cells assessed as inhibition of poly(ADP)-ribose polymerization for 30 mins by fluorescence assay				J Med Chem 59: 335-57 (2016) Article DOI: 10.1021/acs.jmedchem.5b01498 BindingDB Entry DOI: 10.7270/Q2K35WJR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 1 (Homo sapiens (human))	BDBM50315785 (2-(4-(1-Methyl-piperidin-3-yl)phenyl)-1H-benzimida...) Show SMILES CN1CCCC(C1)c1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O Show InChI InChI=1S/C20H22N4O/c1-24-11-3-4-15(12-24)13-7-9-14(10-8-13)20-22-17-6-2-5-16(19(21)25)18(17)23-20/h2,5-10,15H,3-4,11-12H2,1H3,(H2,21,25)(H,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 in human C41 cells by FITC-conjugated DAPI staining				J Med Chem 53: 3142-53 (2010) Article DOI: 10.1021/jm901775y BindingDB Entry DOI: 10.7270/Q2N879XR
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (human))	BDBM50145152 (CHEMBL3763446) Show SMILES Cn1ncnc1[C@@H]1[C@H](Nc2cccc3c2c1n[nH]c3=O)c1ccc(F)cc1 Show InChI InChI=1S/C19H15FN6O/c1-26-18(21-9-22-26)15-16(10-5-7-11(20)8-6-10)23-13-4-2-3-12-14(13)17(15)24-25-19(12)27/h2-9,15-16,23H,1H3,(H,25,27)/t15-,16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.10	n/a	n/a	n/a	n/a
BioMarin Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of PARP in human LoVo cells assessed as inhibition of poly(ADP)-ribose polymerization for 30 mins by fluorescence assay				J Med Chem 59: 335-57 (2016) Article DOI: 10.1021/acs.jmedchem.5b01498 BindingDB Entry DOI: 10.7270/Q2K35WJR
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (human))	BDBM50145143 (CHEMBL3765528) Show SMILES Cn1ncnc1C1C(Nc2cc(F)cc3c2c1n[nH]c3=O)c1ccc(F)cc1 Show InChI 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/h2-8,15-16,24H,1H3,(H,26,28)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.5	n/a	n/a	n/a	n/a
BioMarin Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of PARP in human LoVo cells assessed as inhibition of poly(ADP)-ribose polymerization for 30 mins by fluorescence assay				J Med Chem 59: 335-57 (2016) Article DOI: 10.1021/acs.jmedchem.5b01498 BindingDB Entry DOI: 10.7270/Q2K35WJR
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (human))	BDBM27135 (2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...) Show SMILES C[C@@]1(CCCN1)c1nc2cccc(C(N)=O)c2[nH]1 Show InChI InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	5.90	n/a	n/a	n/a	n/a
BioMarin Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of PARP in human LoVo cells assessed as inhibition of poly(ADP)-ribose polymerization for 30 mins by fluorescence assay				J Med Chem 59: 335-57 (2016) Article DOI: 10.1021/acs.jmedchem.5b01498 BindingDB Entry DOI: 10.7270/Q2K35WJR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 1 (Homo sapiens (human))	BDBM50145087 (CHEMBL3764052) Show SMILES CN(C)Cc1ccc(cc1)C1Nc2cccc3c2c(n[nH]c3=O)C1c1ccccc1 Show InChI InChI=1S/C25H24N4O/c1-29(2)15-16-11-13-18(14-12-16)23-21(17-7-4-3-5-8-17)24-22-19(25(30)28-27-24)9-6-10-20(22)26-23/h3-14,21,23,26H,15H2,1-2H3,(H,28,30)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
BioMarin Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of PARP in human LoVo cells assessed as inhibition of poly(ADP)-ribose polymerization for 30 mins by fluorescence assay				J Med Chem 59: 335-57 (2016) Article DOI: 10.1021/acs.jmedchem.5b01498 BindingDB Entry DOI: 10.7270/Q2K35WJR
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (human))	BDBM50315794 (2-(2-Fluoro-4-piperidin-2-ylphenyl)-1H-benzimidazo...) Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1F)C1CCCCN1 Show InChI InChI=1S/C19H19FN4O/c20-14-10-11(15-5-1-2-9-22-15)7-8-12(14)19-23-16-6-3-4-13(18(21)25)17(16)24-19/h3-4,6-8,10,15,22H,1-2,5,9H2,(H2,21,25)(H,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 in human C41 cells by FITC-conjugated DAPI staining				J Med Chem 53: 3142-53 (2010) Article DOI: 10.1021/jm901775y BindingDB Entry DOI: 10.7270/Q2N879XR
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (human))	BDBM50297829 (7-(pyrrolidin-1-ylmethyl)pyrrolo[1,2-a]quinoxalin-...) Show SMILES O=c1[nH]c2cc(CN3CCCC3)ccc2n2cccc12 Show InChI InChI=1S/C16H17N3O/c20-16-15-4-3-9-19(15)14-6-5-12(10-13(14)17-16)11-18-7-1-2-8-18/h3-6,9-10H,1-2,7-8,11H2,(H,17,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 in human C41 cells by DAPI staining-based FITC analysis				Bioorg Med Chem Lett 19: 4050-4 (2009) Article DOI: 10.1016/j.bmcl.2009.06.016 BindingDB Entry DOI: 10.7270/Q2QJ7HB0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 1 (Homo sapiens (human))	BDBM50315798 ((S)-2-(2-Fluoro-4-piperidin-2-yl-phenyl)-1H-benzim...) Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1F)[C@@H]1CCCCN1 Show InChI InChI=1S/C19H19FN4O/c20-14-10-11(15-5-1-2-9-22-15)7-8-12(14)19-23-16-6-3-4-13(18(21)25)17(16)24-19/h3-4,6-8,10,15,22H,1-2,5,9H2,(H2,21,25)(H,23,24)/t15-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 in human C41 cells by FITC-conjugated DAPI staining				J Med Chem 53: 3142-53 (2010) Article DOI: 10.1021/jm901775y BindingDB Entry DOI: 10.7270/Q2N879XR
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (human))	BDBM50315800 (2-(4-(1-Isopropylpyrrolidin-2-yl)phenyl)-1H-benzim...) Show SMILES CC(C)N1CCCC1c1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O Show InChI InChI=1S/C21H24N4O/c1-13(2)25-12-4-7-18(25)14-8-10-15(11-9-14)21-23-17-6-3-5-16(20(22)26)19(17)24-21/h3,5-6,8-11,13,18H,4,7,12H2,1-2H3,(H2,22,26)(H,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 in human C41 cells by FITC-conjugated DAPI staining				J Med Chem 53: 3142-53 (2010) Article DOI: 10.1021/jm901775y BindingDB Entry DOI: 10.7270/Q2N879XR
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (human))	BDBM50387914 (CHEMBL2058682 | US9283222, 507) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1N1C(=O)CCCC1=O Show InChI InChI=1S/C19H19FN4O3/c20-13-7-6-11(10-15(13)24-16(25)4-1-5-17(24)26)9-14-18-12(3-2-8-21-18)19(27)23-22-14/h6-7,10,21H,1-5,8-9H2,(H,23,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 in H202-stimulated human C41 cells incubated for 30 mins prior to H2O2-treatment measured after 10 mins by FITC-based immunostain...				Bioorg Med Chem 20: 4635-45 (2012) Article DOI: 10.1016/j.bmc.2012.06.021 BindingDB Entry DOI: 10.7270/Q2PN96P7
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (human))	BDBM50387938 (CHEMBL2058919) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)C(=O)C(F)(F)F Show InChI InChI=1S/C21H21F4N5O3/c22-15-4-3-12(11-16-17-13(2-1-5-26-17)18(31)28-27-16)10-14(15)19(32)29-6-8-30(9-7-29)20(33)21(23,24)25/h3-4,10,26H,1-2,5-9,11H2,(H,28,31)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 in H202-stimulated human C41 cells incubated for 30 mins prior to H2O2-treatment measured after 10 mins by FITC-based immunostain...				Bioorg Med Chem 20: 4635-45 (2012) Article DOI: 10.1016/j.bmc.2012.06.021 BindingDB Entry DOI: 10.7270/Q2PN96P7
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (human))	BDBM50315786 (2-(4-(1-Methyl-piperidin-4-yl)phenyl)-1H-benzimida...) Show SMILES CN1CCC(CC1)c1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O Show InChI InChI=1S/C20H22N4O/c1-24-11-9-14(10-12-24)13-5-7-15(8-6-13)20-22-17-4-2-3-16(19(21)25)18(17)23-20/h2-8,14H,9-12H2,1H3,(H2,21,25)(H,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 in human C41 cells by FITC-conjugated DAPI staining				J Med Chem 53: 3142-53 (2010) Article DOI: 10.1021/jm901775y BindingDB Entry DOI: 10.7270/Q2N879XR
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (human))	BDBM50145096 (CHEMBL3765611) Show SMILES CN(C)Cc1ccc(cc1)C1Nc2cc(F)cc3c2c(n[nH]c3=O)C1c1ccc(F)cc1 Show InChI InChI=1S/C25H22F2N4O/c1-31(2)13-14-3-5-16(6-4-14)23-21(15-7-9-17(26)10-8-15)24-22-19(25(32)30-29-24)11-18(27)12-20(22)28-23/h3-12,21,23,28H,13H2,1-2H3,(H,30,32)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.10	n/a	n/a	n/a	n/a
BioMarin Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of PARP in human LoVo cells assessed as inhibition of poly(ADP)-ribose polymerization for 30 mins by fluorescence assay				J Med Chem 59: 335-57 (2016) Article DOI: 10.1021/acs.jmedchem.5b01498 BindingDB Entry DOI: 10.7270/Q2K35WJR
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 280 total )  |  Next  |  Last  >>

Jump to: