Compile Data Set for Download or QSAR

Found 105 hits of ic50 for UniProtKB: P11103   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM138348 (US8877944, 99) Show SMILES NC(=O)c1cc(F)cc2CN(C3CCN(CC3)C3CCC(F)(F)CC3)C(=O)c12 Show InChI InChI=1S/C20H24F3N3O2/c21-13-9-12-11-26(19(28)17(12)16(10-13)18(24)27)15-3-7-25(8-4-15)14-1-5-20(22,23)6-2-14/h9-10,14-15H,1-8,11H2,(H2,24,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM138344 (US8877944, 49) Show SMILES Cc1cccc(CN2CCC(CN3Cc4cccc(C(N)=O)c4C3=O)CC2)c1 Show InChI InChI=1S/C23H27N3O2/c1-16-4-2-5-18(12-16)13-25-10-8-17(9-11-25)14-26-15-19-6-3-7-20(22(24)27)21(19)23(26)28/h2-7,12,17H,8-11,13-15H2,1H3,(H2,24,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM50322362 (2-(4-((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)N1CCN(CC(=O)Nc2cccc3C(=O)NCc23)CC1 |r| Show InChI InChI=1S/C24H27N9O6/c25-20-16-21(28-10-27-20)33(11-29-16)24-18(36)17(35)19(39-24)23(38)32-6-4-31(5-7-32)9-15(34)30-14-3-1-2-12-13(14)8-26-22(12)37/h1-3,10-11,17-19,24,35-36H,4-9H2,(H,26,37)(H,30,34)(H2,25,27,28)/t17-,18+,19-,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Tested for inhibition of poly(ADP-ribose) polymerase-1 (PARP-1) in mouse using Cell protection assay				Bioorg Med Chem Lett 14: 81-5 (2003) BindingDB Entry DOI: 10.7270/Q2CC1186
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM138354 (US8877944, 105) Show SMILES NC(=O)c1cc(F)cc2CN(C3CCN(CC3)C3CCC(Cl)(Cl)CC3)C(=O)c12 Show InChI InChI=1S/C20H24Cl2FN3O2/c21-20(22)5-1-14(2-6-20)25-7-3-15(4-8-25)26-11-12-9-13(23)10-16(18(24)27)17(12)19(26)28/h9-10,14-15H,1-8,11H2,(H2,24,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM138342 (US8877944, 47) Show SMILES Cc1ccc(CN2CCC(CN3Cc4cccc(C(N)=O)c4C3=O)CC2)cc1 Show InChI InChI=1S/C23H27N3O2/c1-16-5-7-17(8-6-16)13-25-11-9-18(10-12-25)14-26-15-19-3-2-4-20(22(24)27)21(19)23(26)28/h2-8,18H,9-15H2,1H3,(H2,24,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM138349 (US8877944, 103) Show SMILES NC(=O)c1cc(F)cc2CN(C3CCN(CC3)C3CCC(=O)CC3)C(=O)c12 Show InChI InChI=1S/C20H24FN3O3/c21-13-9-12-11-24(20(27)18(12)17(10-13)19(22)26)15-5-7-23(8-6-15)14-1-3-16(25)4-2-14/h9-10,14-15H,1-8,11H2,(H2,22,26)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM138302 (US8877944, 4) Show SMILES NC(=O)c1cccc2CN(C3CCN(CC3)[C@H]3CC[C@H](CO)CC3)C(=O)c12 |r,wU:16.16,wD:19.20,(-5.63,-2.69,;-6.96,-1.93,;-8.29,-2.69,;-6.96,-.38,;-8.29,.38,;-8.29,1.93,;-6.96,2.69,;-5.63,1.93,;-4.16,2.4,;-3.26,1.15,;-1.72,1.15,;-.95,-.18,;.59,-.18,;1.36,1.15,;.59,2.49,;-.95,2.49,;2.9,1.15,;3.67,2.49,;5.21,2.49,;5.98,1.15,;7.52,1.15,;8.29,-.18,;5.21,-.18,;3.67,-.18,;-4.16,-.09,;-3.39,-1.42,;-5.63,.38,)| Show InChI InChI=1S/C21H29N3O3/c22-20(26)18-3-1-2-15-12-24(21(27)19(15)18)17-8-10-23(11-9-17)16-6-4-14(13-25)5-7-16/h1-3,14,16-17,25H,4-13H2,(H2,22,26)/t14-,16-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM138325 (US8877944, 29) Show SMILES NC(=O)c1cccc2CN(C3CCN(Cc4ccc5[nH]ccc5c4)CC3)C(=O)c12 Show InChI InChI=1S/C23H24N4O2/c24-22(28)19-3-1-2-17-14-27(23(29)21(17)19)18-7-10-26(11-8-18)13-15-4-5-20-16(12-15)6-9-25-20/h1-6,9,12,18,25H,7-8,10-11,13-14H2,(H2,24,28)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM50366893 (CHEMBL607649) Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](CNC(=O)CCC(=O)Nc2cccc3C(=O)NCc23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C22H24N8O6/c23-19-16-20(27-8-26-19)30(9-28-16)22-18(34)17(33)13(36-22)7-24-14(31)4-5-15(32)29-12-3-1-2-10-11(12)6-25-21(10)35/h1-3,8-9,13,17-18,22,33-34H,4-7H2,(H,24,31)(H,25,35)(H,29,32)(H2,23,26,27)/t13-,17-,18-,22?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Tested for inhibition of poly(ADP-ribose) polymerase-1 (PARP-1) in mouse using Cell protection assay				Bioorg Med Chem Lett 14: 81-5 (2003) BindingDB Entry DOI: 10.7270/Q2CC1186
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM138327 (US8877944, 31) Show SMILES Cc1ccc(CN2CCC(CC2)N2Cc3cccc(C(N)=O)c3C2=O)cc1 Show InChI InChI=1S/C22H25N3O2/c1-15-5-7-16(8-6-15)13-24-11-9-18(10-12-24)25-14-17-3-2-4-19(21(23)26)20(17)22(25)27/h2-8,18H,9-14H2,1H3,(H2,23,26)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM50068752 (8-Methyl-2-(4-nitro-phenyl)-3H-quinazolin-4-one | ...) Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C15H11N3O3/c1-9-3-2-4-12-13(9)16-14(17-15(12)19)10-5-7-11(8-6-10)18(20)21/h2-8H,1H3,(H,16,17,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
The University Curated by ChEMBL					Assay Description Inhibition of the DNA repair Poly (ADP-ribose) polymerase 1, in permeabilised L1210 murine leukemia cells				J Med Chem 41: 5247-56 (1999) Article DOI: 10.1021/jm980273t BindingDB Entry DOI: 10.7270/Q2VX0FNK
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM138301 (US8877944, 3) Show SMILES NC(=O)c1cccc2CN(C3CCN(CC3)[C@@H]3CC[C@H](CO)CC3)C(=O)c12 |r,wU:16.16,19.20,(-5.63,-2.7,;-6.96,-1.93,;-8.29,-2.7,;-6.96,-.39,;-8.29,.39,;-8.29,1.93,;-6.96,2.7,;-5.63,1.93,;-4.16,2.4,;-3.26,1.16,;-1.72,1.16,;-.95,-.18,;.59,-.18,;1.36,1.16,;.59,2.49,;-.95,2.49,;2.9,1.16,;3.67,-.18,;5.21,-.18,;5.98,1.16,;7.52,1.16,;8.29,-.18,;5.21,2.49,;3.67,2.49,;-4.16,-.09,;-3.39,-1.42,;-5.63,.39,)| Show InChI InChI=1S/C21H29N3O3/c22-20(26)18-3-1-2-15-12-24(21(27)19(15)18)17-8-10-23(11-9-17)16-6-4-14(13-25)5-7-16/h1-3,14,16-17,25H,4-13H2,(H2,22,26)/t14-,16+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM138300 (US8877944, 2) Show SMILES CO[C@H]1CC[C@@H](CC1)N1CCC(CC1)N1Cc2cccc(C(N)=O)c2C1=O |r,wU:5.8,wD:2.1,(8.29,-.18,;7.52,1.16,;5.98,1.16,;5.21,2.49,;3.67,2.49,;2.9,1.16,;3.67,-.18,;5.21,-.18,;1.36,1.16,;.59,-.18,;-.95,-.18,;-1.72,1.16,;-.95,2.49,;.59,2.49,;-3.26,1.16,;-4.16,2.4,;-5.63,1.93,;-6.96,2.7,;-8.29,1.93,;-8.29,.39,;-6.96,-.39,;-6.96,-1.93,;-5.63,-2.7,;-8.29,-2.7,;-5.63,.39,;-4.16,-.09,;-3.39,-1.42,)| Show InChI InChI=1S/C21H29N3O3/c1-27-17-7-5-15(6-8-17)23-11-9-16(10-12-23)24-13-14-3-2-4-18(20(22)25)19(14)21(24)26/h2-4,15-17H,5-13H2,1H3,(H2,22,25)/t15-,17-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM138346 (US8877944, 51) Show SMILES NC(=O)c1cccc2CN(CC3CCN(Cc4ccc(F)cc4)CC3)C(=O)c12 Show InChI InChI=1S/C22H24FN3O2/c23-18-6-4-15(5-7-18)12-25-10-8-16(9-11-25)13-26-14-17-2-1-3-19(21(24)27)20(17)22(26)28/h1-7,16H,8-14H2,(H2,24,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM50068762 (2-(4-Methoxy-phenyl)-8-methyl-3H-quinazolin-4-one ...) Show SMILES COc1ccc(cc1)-c1nc2c(C)cccc2c(=O)[nH]1 Show InChI InChI=1S/C16H14N2O2/c1-10-4-3-5-13-14(10)17-15(18-16(13)19)11-6-8-12(20-2)9-7-11/h3-9H,1-2H3,(H,17,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
The University Curated by ChEMBL					Assay Description Inhibition of the DNA repair Poly (ADP-ribose) polymerase 1, in permeabilised L1210 murine leukemia cells				J Med Chem 41: 5247-56 (1999) Article DOI: 10.1021/jm980273t BindingDB Entry DOI: 10.7270/Q2VX0FNK
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM138324 (US8877944, 28) Show SMILES NC(=O)c1cccc2CN(C3CCN(Cc4cccc5[nH]ccc45)CC3)C(=O)c12 Show InChI InChI=1S/C23H24N4O2/c24-22(28)19-5-1-4-16-14-27(23(29)21(16)19)17-8-11-26(12-9-17)13-15-3-2-6-20-18(15)7-10-25-20/h1-7,10,17,25H,8-9,11-14H2,(H2,24,28)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM138322 (US8877944, 26) Show SMILES Cc1ncsc1CN1CCC(CC1)N1Cc2cccc(C(N)=O)c2C1=O Show InChI InChI=1S/C19H22N4O2S/c1-12-16(26-11-21-12)10-22-7-5-14(6-8-22)23-9-13-3-2-4-15(18(20)24)17(13)19(23)25/h2-4,11,14H,5-10H2,1H3,(H2,20,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM50068755 (2-(4-Hydroxy-phenyl)-8-methyl-3H-quinazolin-4-one ...) Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccc(O)cc1 Show InChI InChI=1S/C15H12N2O2/c1-9-3-2-4-12-13(9)16-14(17-15(12)19)10-5-7-11(18)8-6-10/h2-8,18H,1H3,(H,16,17,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
The University Curated by ChEMBL					Assay Description Inhibition of the DNA repair Poly (ADP-ribose) polymerase 1, in permeabilised L1210 murine leukemia cells				J Med Chem 41: 5247-56 (1999) Article DOI: 10.1021/jm980273t BindingDB Entry DOI: 10.7270/Q2VX0FNK
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM138332 (US8877944, 36) Show SMILES Cc1ccsc1CN1CCC(CC1)N1Cc2cccc(C(N)=O)c2C1=O Show InChI InChI=1S/C20H23N3O2S/c1-13-7-10-26-17(13)12-22-8-5-15(6-9-22)23-11-14-3-2-4-16(19(21)24)18(14)20(23)25/h2-4,7,10,15H,5-6,8-9,11-12H2,1H3,(H2,21,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM50068764 (8-Hydroxy-2-(4-nitro-phenyl)-3H-quinazolin-4-one |...) Show SMILES Oc1cccc2c1nc([nH]c2=O)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C14H9N3O4/c18-11-3-1-2-10-12(11)15-13(16-14(10)19)8-4-6-9(7-5-8)17(20)21/h1-7,18H,(H,15,16,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
The University Curated by ChEMBL					Assay Description Inhibition of the DNA repair Poly (ADP-ribose) polymerase 1, in permeabilised L1210 murine leukemia cells				J Med Chem 41: 5247-56 (1999) Article DOI: 10.1021/jm980273t BindingDB Entry DOI: 10.7270/Q2VX0FNK
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM50366900 (CHEMBL608792) Show SMILES CN(CCC(=O)Nc1cccc2C(=O)NCc12)C(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C22H24N8O6/c1-29(6-5-13(31)28-12-4-2-3-10-11(12)7-24-20(10)34)21(35)17-15(32)16(33)22(36-17)30-9-27-14-18(23)25-8-26-19(14)30/h2-4,8-9,15-17,22,32-33H,5-7H2,1H3,(H,24,34)(H,28,31)(H2,23,25,26)/t15-,16+,17-,22?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Tested for inhibition of poly(ADP-ribose) polymerase-1 (PARP-1) in mouse using Cell protection assay				Bioorg Med Chem Lett 14: 81-5 (2003) BindingDB Entry DOI: 10.7270/Q2CC1186
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM138334 (US8877944, 38) Show SMILES CC(C)c1ccc(CN2CCC(CC2)N2Cc3cccc(C(N)=O)c3C2=O)cc1 Show InChI InChI=1S/C24H29N3O2/c1-16(2)18-8-6-17(7-9-18)14-26-12-10-20(11-13-26)27-15-19-4-3-5-21(23(25)28)22(19)24(27)29/h3-9,16,20H,10-15H2,1-2H3,(H2,25,28)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM138333 (US8877944, 37) Show SMILES CCCOc1ccc(CN2CCC(CC2)N2Cc3cccc(C(N)=O)c3C2=O)cc1 Show InChI InChI=1S/C24H29N3O3/c1-2-14-30-20-8-6-17(7-9-20)15-26-12-10-19(11-13-26)27-16-18-4-3-5-21(23(25)28)22(18)24(27)29/h3-9,19H,2,10-16H2,1H3,(H2,25,28)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM50068760 (4-(8-Methyl-4-oxo-3,4-dihydro-quinazolin-2-yl)-ben...) Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccc(cc1)C#N Show InChI InChI=1S/C16H11N3O/c1-10-3-2-4-13-14(10)18-15(19-16(13)20)12-7-5-11(9-17)6-8-12/h2-8H,1H3,(H,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
The University Curated by ChEMBL					Assay Description Inhibition of the DNA repair Poly (ADP-ribose) polymerase 1, in permeabilised L1210 murine leukemia cells				J Med Chem 41: 5247-56 (1999) Article DOI: 10.1021/jm980273t BindingDB Entry DOI: 10.7270/Q2VX0FNK
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM50068770 (8-Hydroxy-2-(4-hydroxy-phenyl)-3H-quinazolin-4-one...) Show SMILES Oc1ccc(cc1)-c1nc2c(O)cccc2c(=O)[nH]1 Show InChI InChI=1S/C14H10N2O3/c17-9-6-4-8(5-7-9)13-15-12-10(14(19)16-13)2-1-3-11(12)18/h1-7,17-18H,(H,15,16,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
The University Curated by ChEMBL					Assay Description Inhibition of the DNA repair Poly (ADP-ribose) polymerase 1, in permeabilised L1210 murine leukemia cells				J Med Chem 41: 5247-56 (1999) Article DOI: 10.1021/jm980273t BindingDB Entry DOI: 10.7270/Q2VX0FNK
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM50068753 (2-(4-Amino-phenyl)-8-methoxy-3H-quinazolin-4-one |...) Show SMILES COc1cccc2c1nc([nH]c2=O)-c1ccc(N)cc1 Show InChI InChI=1S/C15H13N3O2/c1-20-12-4-2-3-11-13(12)17-14(18-15(11)19)9-5-7-10(16)8-6-9/h2-8H,16H2,1H3,(H,17,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>300	n/a	n/a	n/a	n/a	n/a	n/a
The University Curated by ChEMBL					Assay Description Inhibition of the DNA repair Poly (ADP-ribose) polymerase 1, in permeabilised L1210 murine leukemia cells				J Med Chem 41: 5247-56 (1999) Article DOI: 10.1021/jm980273t BindingDB Entry DOI: 10.7270/Q2VX0FNK
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM138326 (US8877944, 30) Show SMILES NC(=O)c1cccc2CN(C3CCN(Cc4ccc5cc[nH]c5c4)CC3)C(=O)c12 Show InChI InChI=1S/C23H24N4O2/c24-22(28)19-3-1-2-17-14-27(23(29)21(17)19)18-7-10-26(11-8-18)13-15-4-5-16-6-9-25-20(16)12-15/h1-6,9,12,18,25H,7-8,10-11,13-14H2,(H2,24,28)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM138331 (US8877944, 35) Show SMILES COc1cccc(CN2CCC(CC2)N2Cc3cccc(C(N)=O)c3C2=O)c1 Show InChI InChI=1S/C22H25N3O3/c1-28-18-6-2-4-15(12-18)13-24-10-8-17(9-11-24)25-14-16-5-3-7-19(21(23)26)20(16)22(25)27/h2-7,12,17H,8-11,13-14H2,1H3,(H2,23,26)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM138323 (US8877944, 27) Show SMILES NC(=O)c1cccc2CN(C3CCN(CC4CCN(Cc5ccccc5)CC4)CC3)C(=O)c12 Show InChI InChI=1S/C27H34N4O2/c28-26(32)24-8-4-7-22-19-31(27(33)25(22)24)23-11-15-30(16-12-23)18-21-9-13-29(14-10-21)17-20-5-2-1-3-6-20/h1-8,21,23H,9-19H2,(H2,28,32)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM138335 (US8877944, 39) Show SMILES COc1ccc(CN2CCC(CC2)N2Cc3cccc(C(N)=O)c3C2=O)cc1 Show InChI InChI=1S/C22H25N3O3/c1-28-18-7-5-15(6-8-18)13-24-11-9-17(10-12-24)25-14-16-3-2-4-19(21(23)26)20(16)22(25)27/h2-8,17H,9-14H2,1H3,(H2,23,26)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM138298 (US8877944, 7) Show SMILES NC(=O)c1cccc2CN(C3CCN(CC3)C3CCC(F)(F)CC3)C(=O)c12 Show InChI InChI=1S/C20H25F2N3O2/c21-20(22)8-4-14(5-9-20)24-10-6-15(7-11-24)25-12-13-2-1-3-16(18(23)26)17(13)19(25)27/h1-3,14-15H,4-12H2,(H2,23,26)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM138341 (US8877944, 45) Show SMILES Cc1ccc(CN2CCC(CC2)N2Cc3cccc(C(N)=O)c3C2=O)s1 Show InChI InChI=1S/C20H23N3O2S/c1-13-5-6-16(26-13)12-22-9-7-15(8-10-22)23-11-14-3-2-4-17(19(21)24)18(14)20(23)25/h2-6,15H,7-12H2,1H3,(H2,21,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM138328 (US8877944, 32) Show SMILES CC(C)n1cc(CN2CCC(CC2)N2Cc3cccc(C(N)=O)c3C2=O)c2ccccc12 Show InChI InChI=1S/C26H30N4O2/c1-17(2)29-16-19(21-7-3-4-9-23(21)29)14-28-12-10-20(11-13-28)30-15-18-6-5-8-22(25(27)31)24(18)26(30)32/h3-9,16-17,20H,10-15H2,1-2H3,(H2,27,31)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM138299 (US8877944, 1) Show SMILES CO[C@H]1CC[C@H](CC1)N1CCC(CC1)N1Cc2cccc(C(N)=O)c2C1=O |r,wU:5.8,2.1,(8.29,-.18,;7.52,1.16,;5.98,1.16,;5.21,-.18,;3.67,-.18,;2.9,1.16,;3.67,2.49,;5.21,2.49,;1.36,1.16,;.59,-.18,;-.95,-.18,;-1.72,1.16,;-.95,2.49,;.59,2.49,;-3.26,1.16,;-4.16,2.4,;-5.63,1.93,;-6.96,2.7,;-8.29,1.93,;-8.29,.39,;-6.96,-.39,;-6.96,-1.93,;-5.63,-2.7,;-8.29,-2.7,;-5.63,.39,;-4.16,-.09,;-3.39,-1.42,)| Show InChI InChI=1S/C21H29N3O3/c1-27-17-7-5-15(6-8-17)23-11-9-16(10-12-23)24-13-14-3-2-4-18(20(22)25)19(14)21(24)26/h2-4,15-17H,5-13H2,1H3,(H2,22,25)/t15-,17+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM50068761 (2,8-Dimethyl-3H-quinazolin-4-one | CHEMBL151549) Show SMILES Cc1nc2c(C)cccc2c(=O)[nH]1 Show InChI InChI=1S/C10H10N2O/c1-6-4-3-5-8-9(6)11-7(2)12-10(8)13/h3-5H,1-2H3,(H,11,12,13)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
The University Curated by ChEMBL					Assay Description Inhibition of the DNA repair Poly (ADP-ribose) polymerase 1, in permeabilised L1210 murine leukemia cells				J Med Chem 41: 5247-56 (1999) Article DOI: 10.1021/jm980273t BindingDB Entry DOI: 10.7270/Q2VX0FNK
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM138297 (US8877944, 46) Show SMILES NC(=O)c1cccc2CN(CCCN3CCN(CC3)c3cccc(Cl)c3)C(=O)c12 Show InChI InChI=1S/C22H25ClN4O2/c23-17-5-2-6-18(14-17)26-12-10-25(11-13-26)8-3-9-27-15-16-4-1-7-19(21(24)28)20(16)22(27)29/h1-2,4-7,14H,3,8-13,15H2,(H2,24,28)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM50068774 (8-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN-4-ONE | 8-Hy...) Show SMILES Cc1nc2c(O)cccc2c(=O)[nH]1 Show InChI InChI=1S/C9H8N2O2/c1-5-10-8-6(9(13)11-5)3-2-4-7(8)12/h2-4,12H,1H3,(H,10,11,13)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
The University Curated by ChEMBL					Assay Description Inhibition of the DNA repair Poly (ADP-ribose) polymerase 1, in permeabilised L1210 murine leukemia cells				J Med Chem 41: 5247-56 (1999) Article DOI: 10.1021/jm980273t BindingDB Entry DOI: 10.7270/Q2VX0FNK
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM138347 (US8877944, 106) Show SMILES COCCN1CCC(CC1)N1Cc2cccc(C(N)=O)c2C1=O Show InChI InChI=1S/C17H23N3O3/c1-23-10-9-19-7-5-13(6-8-19)20-11-12-3-2-4-14(16(18)21)15(12)17(20)22/h2-4,13H,5-11H2,1H3,(H2,18,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM27682 (5-methyl-1,2,3,4-tetrahydroisoquinolin-1-one | CHE...) Show SMILES Cc1cccc2C(=O)NCCc12 Show InChI InChI=1S/C10H11NO/c1-7-3-2-4-9-8(7)5-6-11-10(9)12/h2-4H,5-6H2,1H3,(H,11,12)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
The University Curated by ChEMBL					Assay Description Inhibition of the DNA repair Poly (ADP-ribose) polymerase 1, in permeabilised L1210 murine leukemia cells				J Med Chem 41: 5247-56 (1999) Article DOI: 10.1021/jm980273t BindingDB Entry DOI: 10.7270/Q2VX0FNK
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM50068766 (2-(4-Amino-phenyl)-8-methyl-3H-quinazolin-4-one | ...) Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccc(N)cc1 Show InChI InChI=1S/C15H13N3O/c1-9-3-2-4-12-13(9)17-14(18-15(12)19)10-5-7-11(16)8-6-10/h2-8H,16H2,1H3,(H,17,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
The University Curated by ChEMBL					Assay Description Inhibition of the DNA repair Poly (ADP-ribose) polymerase 1, in permeabilised L1210 murine leukemia cells				J Med Chem 41: 5247-56 (1999) Article DOI: 10.1021/jm980273t BindingDB Entry DOI: 10.7270/Q2VX0FNK
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM50366902 (CHEMBL607648) Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](CNC(=O)CCCC(=O)Nc2cccc3C(=O)NCc23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C23H26N8O6/c24-20-17-21(28-9-27-20)31(10-29-17)23-19(35)18(34)14(37-23)8-25-15(32)5-2-6-16(33)30-13-4-1-3-11-12(13)7-26-22(11)36/h1,3-4,9-10,14,18-19,23,34-35H,2,5-8H2,(H,25,32)(H,26,36)(H,30,33)(H2,24,27,28)/t14-,18-,19-,23?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Tested for inhibition of poly(ADP-ribose) polymerase-1 (PARP-1) in mouse using Cell protection assay				Bioorg Med Chem Lett 14: 81-5 (2003) BindingDB Entry DOI: 10.7270/Q2CC1186
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM138350 (US8877944, 100) Show SMILES NC(=O)c1cc(Cl)cc2CN(C3CCN(CC3)C3CCC(F)(F)CC3)C(=O)c12 Show InChI InChI=1S/C20H24ClF2N3O2/c21-13-9-12-11-26(19(28)17(12)16(10-13)18(24)27)15-3-7-25(8-4-15)14-1-5-20(22,23)6-2-14/h9-10,14-15H,1-8,11H2,(H2,24,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM138340 (US8877944, 44) Show SMILES CC(C)Oc1ccc(CN2CCC(CC2)N2Cc3cccc(C(N)=O)c3C2=O)cc1 Show InChI InChI=1S/C24H29N3O3/c1-16(2)30-20-8-6-17(7-9-20)14-26-12-10-19(11-13-26)27-15-18-4-3-5-21(23(25)28)22(18)24(27)29/h3-9,16,19H,10-15H2,1-2H3,(H2,25,28)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM50068771 (2-(4-Amino-phenyl)-8-hydroxy-3H-quinazolin-4-one |...) Show SMILES Nc1ccc(cc1)-c1nc2c(O)cccc2c(=O)[nH]1 Show InChI InChI=1S/C14H11N3O2/c15-9-6-4-8(5-7-9)13-16-12-10(14(19)17-13)2-1-3-11(12)18/h1-7,18H,15H2,(H,16,17,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
The University Curated by ChEMBL					Assay Description Inhibition of the DNA repair Poly (ADP-ribose) polymerase 1, in permeabilised L1210 murine leukemia cells				J Med Chem 41: 5247-56 (1999) Article DOI: 10.1021/jm980273t BindingDB Entry DOI: 10.7270/Q2VX0FNK
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM138305 (US8877944, 8) Show SMILES NC(=O)c1cccc2CN(C3CCN(CC3)C3CCC4(CC3)OCCO4)C(=O)c12 Show InChI InChI=1S/C22H29N3O4/c23-20(26)18-3-1-2-15-14-25(21(27)19(15)18)17-6-10-24(11-7-17)16-4-8-22(9-5-16)28-12-13-29-22/h1-3,16-17H,4-14H2,(H2,23,26)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM138336 (US8877944, 40) Show SMILES CCOc1cccc(CN2CCC(CC2)N2Cc3cccc(C(N)=O)c3C2=O)c1 Show InChI InChI=1S/C23H27N3O3/c1-2-29-19-7-3-5-16(13-19)14-25-11-9-18(10-12-25)26-15-17-6-4-8-20(22(24)27)21(17)23(26)28/h3-8,13,18H,2,9-12,14-15H2,1H3,(H2,24,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM50366904 (CHEMBL607928) Show SMILES Nc1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCC(=O)Nc1cccc2C(=O)NCc12 |r| Show InChI InChI=1S/C21H22N8O6/c22-17-13-18(26-7-25-17)29(8-27-13)21-15(32)14(31)16(35-21)20(34)23-5-4-12(30)28-11-3-1-2-9-10(11)6-24-19(9)33/h1-3,7-8,14-16,21,31-32H,4-6H2,(H,23,34)(H,24,33)(H,28,30)(H2,22,25,26)/t14-,15+,16-,21?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Tested for inhibition of poly(ADP-ribose) polymerase-1 (PARP-1) in mouse using Cell protection assay				Bioorg Med Chem Lett 14: 81-5 (2003) BindingDB Entry DOI: 10.7270/Q2CC1186
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM50366895 (CHEMBL607633) Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](CNC(=O)CCCCCCC(=O)Nc2cccc3C(=O)NCc23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C26H32N8O6/c27-23-20-24(31-12-30-23)34(13-32-20)26-22(38)21(37)17(40-26)11-28-18(35)8-3-1-2-4-9-19(36)33-16-7-5-6-14-15(16)10-29-25(14)39/h5-7,12-13,17,21-22,26,37-38H,1-4,8-11H2,(H,28,35)(H,29,39)(H,33,36)(H2,27,30,31)/t17-,21-,22-,26?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Tested for inhibition of poly(ADP-ribose) polymerase-1 (PARP-1) in mouse using Cell protection assay				Bioorg Med Chem Lett 14: 81-5 (2003) BindingDB Entry DOI: 10.7270/Q2CC1186
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM50068772 (8-Methoxy-2-methyl-3H-quinazolin-4-one | CHEMBL435...) Show SMILES COc1cccc2c1nc(C)[nH]c2=O Show InChI InChI=1S/C10H10N2O2/c1-6-11-9-7(10(13)12-6)4-3-5-8(9)14-2/h3-5H,1-2H3,(H,11,12,13)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
The University Curated by ChEMBL					Assay Description Inhibition of the DNA repair Poly (ADP-ribose) polymerase 1, in permeabilised L1210 murine leukemia cells				J Med Chem 41: 5247-56 (1999) Article DOI: 10.1021/jm980273t BindingDB Entry DOI: 10.7270/Q2VX0FNK
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM50068754 (8-Methoxy-2-(4-nitro-phenyl)-3H-quinazolin-4-one |...) Show SMILES COc1cccc2c1nc([nH]c2=O)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C15H11N3O4/c1-22-12-4-2-3-11-13(12)16-14(17-15(11)19)9-5-7-10(8-6-9)18(20)21/h2-8H,1H3,(H,16,17,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
The University Curated by ChEMBL					Assay Description Inhibition of the DNA repair Poly (ADP-ribose) polymerase 1, in permeabilised L1210 murine leukemia cells				J Med Chem 41: 5247-56 (1999) Article DOI: 10.1021/jm980273t BindingDB Entry DOI: 10.7270/Q2VX0FNK
					More data for this Ligand-Target Pair

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