Compile Data Set for Download or QSAR

Found 107 hits with Last Name = 'murano' and Initial = 'k'   

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))	BDBM27707 (4-{1-[3-(8-chloro-4-oxo-3,4-dihydroquinazolin-2-yl...) Show SMILES Clc1cccc2c1nc(CCCN1CCC(=CC1)c1ccc(cc1)C#N)[nH]c2=O |c:16| Show InChI InChI=1S/C23H21ClN4O/c24-20-4-1-3-19-22(20)26-21(27-23(19)29)5-2-12-28-13-10-18(11-14-28)17-8-6-16(15-25)7-9-17/h1,3-4,6-10H,2,5,11-14H2,(H,26,27,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	8.0	23
Fujisawa Pharmaceutical Co. Ltd					Assay Description To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...				Bioorg Med Chem 14: 1378-90 (2006) Article DOI: 10.1016/j.bmc.2005.09.061 BindingDB Entry DOI: 10.7270/Q2610XPZ
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50151035 (4-{1-[3-(4-Oxo-3,4-dihydro-quinazolin-2-yl)-propyl...) Show SMILES O=c1[nH]c(CCCN2CCC(=CC2)c2ccc(cc2)C#N)nc2ccccc12 |c:10| Show InChI InChI=1S/C23H22N4O/c24-16-17-7-9-18(10-8-17)19-11-14-27(15-12-19)13-3-6-22-25-21-5-2-1-4-20(21)23(28)26-22/h1-2,4-5,7-11H,3,6,12-15H2,(H,25,26,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human recombinant Poly (ADP-ribose) polymerase 1				J Med Chem 47: 4151-4 (2004) Article DOI: 10.1021/jm0499256 BindingDB Entry DOI: 10.7270/Q21G0KQ6
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Mus musculus (Mouse))	BDBM27720 (3-(4-chlorophenyl)quinoxaline-5-carboxamide | quin...) Show SMILES NC(=O)c1cccc2ncc(nc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C15H10ClN3O/c16-10-6-4-9(5-7-10)13-8-18-12-3-1-2-11(15(17)20)14(12)19-13/h1-8H,(H2,17,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	25
Fujisawa Pharmaceutical Co. Ltd					Assay Description To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...				Bioorg Med Chem 14: 1378-90 (2006) Article DOI: 10.1016/j.bmc.2005.09.061 BindingDB Entry DOI: 10.7270/Q2610XPZ
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Mus musculus (Mouse))	BDBM27721 (3-(4-cyanophenyl)quinoxaline-5-carboxamide | CHEMB...) Show SMILES NC(=O)c1cccc2ncc(nc12)-c1ccc(cc1)C#N Show InChI InChI=1S/C16H10N4O/c17-8-10-4-6-11(7-5-10)14-9-19-13-3-1-2-12(16(18)21)15(13)20-14/h1-7,9H,(H2,18,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	25
Fujisawa Pharmaceutical Co. Ltd					Assay Description To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...				Bioorg Med Chem 14: 1378-90 (2006) Article DOI: 10.1016/j.bmc.2005.09.061 BindingDB Entry DOI: 10.7270/Q2610XPZ
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Mus musculus (Mouse))	BDBM27723 (3-(4-methoxyphenyl)quinoxaline-5-carboxamide | CHE...) Show SMILES COc1ccc(cc1)-c1cnc2cccc(C(N)=O)c2n1 Show InChI InChI=1S/C16H13N3O2/c1-21-11-7-5-10(6-8-11)14-9-18-13-4-2-3-12(16(17)20)15(13)19-14/h2-9H,1H3,(H2,17,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	25
Fujisawa Pharmaceutical Co. Ltd					Assay Description To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...				Bioorg Med Chem 14: 1378-90 (2006) Article DOI: 10.1016/j.bmc.2005.09.061 BindingDB Entry DOI: 10.7270/Q2610XPZ
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50151016 (2-{3-[4-(4-Methoxy-phenyl)-3,6-dihydro-2H-pyridin-...) Show SMILES COc1ccc(cc1)C1=CCN(CCCc2nc3ccccc3c(=O)[nH]2)CC1 |t:9| Show InChI InChI=1S/C23H25N3O2/c1-28-19-10-8-17(9-11-19)18-12-15-26(16-13-18)14-4-7-22-24-21-6-3-2-5-20(21)23(27)25-22/h2-3,5-6,8-12H,4,7,13-16H2,1H3,(H,24,25,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human recombinant Poly (ADP-ribose) polymerase 1				J Med Chem 47: 4151-4 (2004) Article DOI: 10.1021/jm0499256 BindingDB Entry DOI: 10.7270/Q21G0KQ6
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50220864 (2-(3-(4-(4-fluorophenyl)-5,6-dihydropyridin-1(2H)-...) Show SMILES Fc1ccc(cc1)C1=CCN(CCCc2nc3ccccc3c(=O)[nH]2)CC1 |t:8| Show InChI InChI=1S/C22H22FN3O/c23-18-9-7-16(8-10-18)17-11-14-26(15-12-17)13-3-6-21-24-20-5-2-1-4-19(20)22(27)25-21/h1-2,4-5,7-11H,3,6,12-15H2,(H,24,25,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human recombinant Poly (ADP-ribose) polymerase 1				J Med Chem 47: 4151-4 (2004) Article DOI: 10.1021/jm0499256 BindingDB Entry DOI: 10.7270/Q21G0KQ6
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Mus musculus (Mouse))	BDBM27724 (3-(4-aminophenyl)quinoxaline-5-carboxamide | CHEMB...) Show SMILES NC(=O)c1cccc2ncc(nc12)-c1ccc(N)cc1 Show InChI InChI=1S/C15H12N4O/c16-10-6-4-9(5-7-10)13-8-18-12-3-1-2-11(15(17)20)14(12)19-13/h1-8H,16H2,(H2,17,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	25
Fujisawa Pharmaceutical Co. Ltd					Assay Description To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...				Bioorg Med Chem 14: 1378-90 (2006) Article DOI: 10.1016/j.bmc.2005.09.061 BindingDB Entry DOI: 10.7270/Q2610XPZ
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Mus musculus (Mouse))	BDBM27722 (3-[4-(trifluoromethyl)phenyl]quinoxaline-5-carboxa...) Show SMILES NC(=O)c1cccc2ncc(nc12)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C16H10F3N3O/c17-16(18,19)10-6-4-9(5-7-10)13-8-21-12-3-1-2-11(15(20)23)14(12)22-13/h1-8H,(H2,20,23)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	25
Fujisawa Pharmaceutical Co. Ltd					Assay Description To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...				Bioorg Med Chem 14: 1378-90 (2006) Article DOI: 10.1016/j.bmc.2005.09.061 BindingDB Entry DOI: 10.7270/Q2610XPZ
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27711 (2-{3-[4-(4-chlorophenyl)piperazin-1-yl]propyl}-3,4...) Show SMILES Clc1ccc(cc1)N1CCN(CCCc2nc3ccccc3c(=O)[nH]2)CC1 Show InChI InChI=1S/C21H23ClN4O/c22-16-7-9-17(10-8-16)26-14-12-25(13-15-26)11-3-6-20-23-19-5-2-1-4-18(19)21(27)24-20/h1-2,4-5,7-10H,3,6,11-15H2,(H,23,24,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	8.0	23
Fujisawa Pharmaceutical Co. Ltd					Assay Description To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...				Bioorg Med Chem 14: 1378-90 (2006) Article DOI: 10.1016/j.bmc.2005.09.061 BindingDB Entry DOI: 10.7270/Q2610XPZ
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50151013 (2-{3-[4-(4-Pyridin-1-yl-phenyl)-3,6-dihydro-2H-pyr...) Show SMILES O=c1[nH]c(CCCN2CCC(=CC2)c2ccc(cc2)-[n+]2ccccc2)nc2ccccc12 |c:10| Show InChI InChI=1S/C27H26N4O/c32-27-24-7-2-3-8-25(24)28-26(29-27)9-6-16-30-19-14-22(15-20-30)21-10-12-23(13-11-21)31-17-4-1-5-18-31/h1-5,7-8,10-14,17-18H,6,9,15-16,19-20H2/p+1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human recombinant Poly (ADP-ribose) polymerase 1				J Med Chem 47: 4151-4 (2004) Article DOI: 10.1021/jm0499256 BindingDB Entry DOI: 10.7270/Q21G0KQ6
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50151012 (2-{3-[4-(4-Hydroxy-phenyl)-3,6-dihydro-2H-pyridin-...) Show SMILES Oc1ccc(cc1)C1=CCN(CCCc2nc3ccccc3c(=O)[nH]2)CC1 |t:8| Show InChI InChI=1S/C22H23N3O2/c26-18-9-7-16(8-10-18)17-11-14-25(15-12-17)13-3-6-21-23-20-5-2-1-4-19(20)22(27)24-21/h1-2,4-5,7-11,26H,3,6,12-15H2,(H,23,24,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human recombinant Poly (ADP-ribose) polymerase 1				J Med Chem 47: 4151-4 (2004) Article DOI: 10.1021/jm0499256 BindingDB Entry DOI: 10.7270/Q21G0KQ6
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50151025 (2-[3-(1,4,5,6-Tetrahydro-2H-benzo[f]isoquinolin-3-...) Show SMILES O=c1[nH]c(CCCN2CCC3=C(CCc4ccccc34)C2)nc2ccccc12 |t:10| Show InChI InChI=1S/C24H25N3O/c28-24-21-8-3-4-9-22(21)25-23(26-24)10-5-14-27-15-13-20-18(16-27)12-11-17-6-1-2-7-19(17)20/h1-4,6-9H,5,10-16H2,(H,25,26,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human recombinant Poly (ADP-ribose) polymerase 1				J Med Chem 47: 4151-4 (2004) Article DOI: 10.1021/jm0499256 BindingDB Entry DOI: 10.7270/Q21G0KQ6
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50406796 (CHEMBL2115161) Show SMILES C[C@@H](O)[C@H](NC(C)=O)C(=O)NCCCC[C@H](NC(=O)c1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1 Show InChI InChI=1S/C38H46N6O6/c1-25(45)34(41-26(2)46)37(49)39-21-13-12-20-32(42-35(47)30-23-40-31-19-11-10-18-29(30)31)36(48)43-33(22-27-14-6-4-7-15-27)38(50)44(3)24-28-16-8-5-9-17-28/h4-11,14-19,23,25,32-34,40,45H,12-13,20-22,24H2,1-3H3,(H,39,49)(H,41,46)(H,42,47)(H,43,48)/t25-,32+,33-,34+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Tested for inhibition against [3H]-SP (substance P) (1 nM) binding to NK1 receptor in guinea pig lung membranes				J Med Chem 36: 2266-78 (1993) BindingDB Entry DOI: 10.7270/Q2TQ60K6
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27708 (8-chloro-2-{3-[4-(4-fluorophenyl)-1,2,3,6-tetrahyd...) Show SMILES Fc1ccc(cc1)C1=CCN(CCCc2nc3c(Cl)cccc3c(=O)[nH]2)CC1 |t:8| Show InChI InChI=1S/C22H21ClFN3O/c23-19-4-1-3-18-21(19)25-20(26-22(18)28)5-2-12-27-13-10-16(11-14-27)15-6-8-17(24)9-7-15/h1,3-4,6-10H,2,5,11-14H2,(H,25,26,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	8.0	23
Fujisawa Pharmaceutical Co. Ltd					Assay Description To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...				Bioorg Med Chem 14: 1378-90 (2006) Article DOI: 10.1016/j.bmc.2005.09.061 BindingDB Entry DOI: 10.7270/Q2610XPZ
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27708 (8-chloro-2-{3-[4-(4-fluorophenyl)-1,2,3,6-tetrahyd...) Show SMILES Fc1ccc(cc1)C1=CCN(CCCc2nc3c(Cl)cccc3c(=O)[nH]2)CC1 |t:8| Show InChI InChI=1S/C22H21ClFN3O/c23-19-4-1-3-18-21(19)25-20(26-22(18)28)5-2-12-27-13-10-16(11-14-27)15-6-8-17(24)9-7-15/h1,3-4,6-10H,2,5,11-14H2,(H,25,26,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human recombinant Poly (ADP-ribose) polymerase 1				J Med Chem 47: 4151-4 (2004) Article DOI: 10.1021/jm0499256 BindingDB Entry DOI: 10.7270/Q21G0KQ6
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Mus musculus (Mouse))	BDBM27719 (3-phenylquinoxaline-5-carboxamide | quinoxaline an...) Show SMILES NC(=O)c1cccc2ncc(nc12)-c1ccccc1 Show InChI InChI=1S/C15H11N3O/c16-15(19)11-7-4-8-12-14(11)18-13(9-17-12)10-5-2-1-3-6-10/h1-9H,(H2,16,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	25
Fujisawa Pharmaceutical Co. Ltd					Assay Description To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...				Bioorg Med Chem 14: 1378-90 (2006) Article DOI: 10.1016/j.bmc.2005.09.061 BindingDB Entry DOI: 10.7270/Q2610XPZ
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50151009 (8-Methyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-y...) Show SMILES Cc1cccc2c1nc(CCCN1CCC(=CC1)c1ccccc1)[nH]c2=O |c:16| Show InChI InChI=1S/C23H25N3O/c1-17-7-5-10-20-22(17)24-21(25-23(20)27)11-6-14-26-15-12-19(13-16-26)18-8-3-2-4-9-18/h2-5,7-10,12H,6,11,13-16H2,1H3,(H,24,25,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human recombinant Poly (ADP-ribose) polymerase 1				J Med Chem 47: 4151-4 (2004) Article DOI: 10.1021/jm0499256 BindingDB Entry DOI: 10.7270/Q21G0KQ6
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27709 (2-{3-[4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin...) Show SMILES Cc1cccc2c1nc(CCCN1CCC(=CC1)c1ccc(F)cc1)[nH]c2=O |c:16| Show InChI InChI=1S/C23H24FN3O/c1-16-4-2-5-20-22(16)25-21(26-23(20)28)6-3-13-27-14-11-18(12-15-27)17-7-9-19(24)10-8-17/h2,4-5,7-11H,3,6,12-15H2,1H3,(H,25,26,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	8.0	23
Fujisawa Pharmaceutical Co. Ltd					Assay Description To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...				Bioorg Med Chem 14: 1378-90 (2006) Article DOI: 10.1016/j.bmc.2005.09.061 BindingDB Entry DOI: 10.7270/Q2610XPZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27705 (2-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)prop...) Show SMILES O=c1[nH]c(CCCN2CCC(=CC2)c2ccccc2)nc2ccccc12 |c:10| Show InChI InChI=1S/C22H23N3O/c26-22-19-9-4-5-10-20(19)23-21(24-22)11-6-14-25-15-12-18(13-16-25)17-7-2-1-3-8-17/h1-5,7-10,12H,6,11,13-16H2,(H,23,24,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human recombinant Poly (ADP-ribose) polymerase 1				J Med Chem 47: 4151-4 (2004) Article DOI: 10.1021/jm0499256 BindingDB Entry DOI: 10.7270/Q21G0KQ6
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50151038 (5-Fluoro-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-y...) Show SMILES Fc1cccc2nc(CCCN3CCC(=CC3)c3ccccc3)[nH]c(=O)c12 |c:14| Show InChI InChI=1S/C22H22FN3O/c23-18-8-4-9-19-21(18)22(27)25-20(24-19)10-5-13-26-14-11-17(12-15-26)16-6-2-1-3-7-16/h1-4,6-9,11H,5,10,12-15H2,(H,24,25,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human recombinant Poly (ADP-ribose) polymerase 1				J Med Chem 47: 4151-4 (2004) Article DOI: 10.1021/jm0499256 BindingDB Entry DOI: 10.7270/Q21G0KQ6
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50151015 (2-[3-(4-p-Tolyl-3,6-dihydro-2H-pyridin-1-yl)-propy...) Show SMILES Cc1ccc(cc1)C1=CCN(CCCc2nc3ccccc3c(=O)[nH]2)CC1 |t:8| Show InChI InChI=1S/C23H25N3O/c1-17-8-10-18(11-9-17)19-12-15-26(16-13-19)14-4-7-22-24-21-6-3-2-5-20(21)23(27)25-22/h2-3,5-6,8-12H,4,7,13-16H2,1H3,(H,24,25,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human recombinant Poly (ADP-ribose) polymerase 1				J Med Chem 47: 4151-4 (2004) Article DOI: 10.1021/jm0499256 BindingDB Entry DOI: 10.7270/Q21G0KQ6
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50033612 (1H-Indole-2-carboxylic acid {5-(2-acetylamino-3-hy...) Show SMILES C[C@@H](O)C(NC(C)=O)C(=O)NCCCCC(NC(=O)c1cc2ccccc2[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1 Show InChI InChI=1S/C38H46N6O6/c1-25(45)34(40-26(2)46)37(49)39-21-13-12-20-31(42-36(48)32-23-29-18-10-11-19-30(29)41-32)35(47)43-33(22-27-14-6-4-7-15-27)38(50)44(3)24-28-16-8-5-9-17-28/h4-11,14-19,23,25,31,33-34,41,45H,12-13,20-22,24H2,1-3H3,(H,39,49)(H,40,46)(H,42,48)(H,43,47)/t25-,31?,33-,34?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Tested for inhibition against [3H]-SP (substance P) (1 nM) binding to NK1 receptor in guinea pig lung membranes				J Med Chem 36: 2266-78 (1993) BindingDB Entry DOI: 10.7270/Q2TQ60K6
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27705 (2-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)prop...) Show SMILES O=c1[nH]c(CCCN2CCC(=CC2)c2ccccc2)nc2ccccc12 |c:10| Show InChI InChI=1S/C22H23N3O/c26-22-19-9-4-5-10-20(19)23-21(24-22)11-6-14-25-15-12-18(13-16-25)17-7-2-1-3-8-17/h1-5,7-10,12H,6,11,13-16H2,(H,23,24,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	8.0	23
Fujisawa Pharmaceutical Co. Ltd					Assay Description To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...				Bioorg Med Chem 14: 1378-90 (2006) Article DOI: 10.1016/j.bmc.2005.09.061 BindingDB Entry DOI: 10.7270/Q2610XPZ
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50033610 (1H-Indole-3-carboxylic acid {4-(2-acetylamino-3-hy...) Show SMILES C[C@@H](O)C(NC(C)=O)C(=O)NCCCC(NC(=O)c1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1 Show InChI InChI=1S/C37H44N6O6/c1-24(44)33(40-25(2)45)36(48)38-20-12-19-31(41-34(46)29-22-39-30-18-11-10-17-28(29)30)35(47)42-32(21-26-13-6-4-7-14-26)37(49)43(3)23-27-15-8-5-9-16-27/h4-11,13-18,22,24,31-33,39,44H,12,19-21,23H2,1-3H3,(H,38,48)(H,40,45)(H,41,46)(H,42,47)/t24-,31?,32-,33?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Tested for inhibition against [3H]-SP (substance P) (1 nM) binding to NK1 receptor in guinea pig lung membranes				J Med Chem 36: 2266-78 (1993) BindingDB Entry DOI: 10.7270/Q2TQ60K6
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27706 (8-chloro-2-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-...) Show SMILES Clc1cccc2c1nc(CCCN1CCC(=CC1)c1ccccc1)[nH]c2=O |c:16| Show InChI InChI=1S/C22H22ClN3O/c23-19-9-4-8-18-21(19)24-20(25-22(18)27)10-5-13-26-14-11-17(12-15-26)16-6-2-1-3-7-16/h1-4,6-9,11H,5,10,12-15H2,(H,24,25,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	8.0	23
Fujisawa Pharmaceutical Co. Ltd					Assay Description To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...				Bioorg Med Chem 14: 1378-90 (2006) Article DOI: 10.1016/j.bmc.2005.09.061 BindingDB Entry DOI: 10.7270/Q2610XPZ
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50220868 (2-(3-(4-(4-chlorophenyl)-5,6-dihydropyridin-1(2H)-...) Show SMILES Clc1ccc(cc1)C1=CCN(CCCc2nc3ccccc3c(=O)[nH]2)CC1 |t:8| Show InChI InChI=1S/C22H22ClN3O/c23-18-9-7-16(8-10-18)17-11-14-26(15-12-17)13-3-6-21-24-20-5-2-1-4-19(20)22(27)25-21/h1-2,4-5,7-11H,3,6,12-15H2,(H,24,25,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human recombinant Poly (ADP-ribose) polymerase 1				J Med Chem 47: 4151-4 (2004) Article DOI: 10.1021/jm0499256 BindingDB Entry DOI: 10.7270/Q21G0KQ6
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50151011 (2-{3-[4-(3-Fluoro-phenyl)-3,6-dihydro-2H-pyridin-1...) Show SMILES Fc1cccc(c1)C1=CCN(CCCc2nc3ccccc3c(=O)[nH]2)CC1 |t:8| Show InChI InChI=1S/C22H22FN3O/c23-18-6-3-5-17(15-18)16-10-13-26(14-11-16)12-4-9-21-24-20-8-2-1-7-19(20)22(27)25-21/h1-3,5-8,10,15H,4,9,11-14H2,(H,24,25,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human recombinant Poly (ADP-ribose) polymerase 1				J Med Chem 47: 4151-4 (2004) Article DOI: 10.1021/jm0499256 BindingDB Entry DOI: 10.7270/Q21G0KQ6
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50033611 (CHEMBL264384 | N*1*-[1-(Benzyl-methyl-carbamoyl)-2...) Show SMILES C[C@@H](O)C(NC(=O)CC(NC(=O)c1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1)C(N)=O Show InChI InChI=1S/C34H38N6O6/c1-21(41)30(31(35)43)39-29(42)18-27(37-32(44)25-19-36-26-16-10-9-15-24(25)26)33(45)38-28(17-22-11-5-3-6-12-22)34(46)40(2)20-23-13-7-4-8-14-23/h3-16,19,21,27-28,30,36,41H,17-18,20H2,1-2H3,(H2,35,43)(H,37,44)(H,38,45)(H,39,42)/t21-,27?,28-,30?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Tested for inhibition against [3H]-SP (substance P) (1 nM) binding to NK1 receptor in guinea pig lung membranes				J Med Chem 36: 2266-78 (1993) BindingDB Entry DOI: 10.7270/Q2TQ60K6
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50151030 (2-{3-[4-(4-Trifluoromethyl-phenyl)-3,6-dihydro-2H-...) Show SMILES FC(F)(F)c1ccc(cc1)C1=CCN(CCCc2nc3ccccc3c(=O)[nH]2)CC1 |t:11| Show InChI InChI=1S/C23H22F3N3O/c24-23(25,26)18-9-7-16(8-10-18)17-11-14-29(15-12-17)13-3-6-21-27-20-5-2-1-4-19(20)22(30)28-21/h1-2,4-5,7-11H,3,6,12-15H2,(H,27,28,30)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human recombinant Poly (ADP-ribose) polymerase 1				J Med Chem 47: 4151-4 (2004) Article DOI: 10.1021/jm0499256 BindingDB Entry DOI: 10.7270/Q21G0KQ6
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27706 (8-chloro-2-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-...) Show SMILES Clc1cccc2c1nc(CCCN1CCC(=CC1)c1ccccc1)[nH]c2=O |c:16| Show InChI InChI=1S/C22H22ClN3O/c23-19-9-4-8-18-21(19)24-20(25-22(18)27)10-5-13-26-14-11-17(12-15-26)16-6-2-1-3-7-16/h1-4,6-9,11H,5,10,12-15H2,(H,24,25,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human recombinant Poly (ADP-ribose) polymerase 1				J Med Chem 47: 4151-4 (2004) Article DOI: 10.1021/jm0499256 BindingDB Entry DOI: 10.7270/Q21G0KQ6
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50151033 (8-Methoxy-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-...) Show SMILES COc1cccc2c1nc(CCCN1CCC(=CC1)c1ccccc1)[nH]c2=O |c:17| Show InChI InChI=1S/C23H25N3O2/c1-28-20-10-5-9-19-22(20)24-21(25-23(19)27)11-6-14-26-15-12-18(13-16-26)17-7-3-2-4-8-17/h2-5,7-10,12H,6,11,13-16H2,1H3,(H,24,25,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human recombinant Poly (ADP-ribose) polymerase 1				J Med Chem 47: 4151-4 (2004) Article DOI: 10.1021/jm0499256 BindingDB Entry DOI: 10.7270/Q21G0KQ6
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50151032 (6-Chloro-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-y...) Show SMILES Clc1ccc2nc(CCCN3CCC(=CC3)c3ccccc3)[nH]c(=O)c2c1 |c:13| Show InChI InChI=1S/C22H22ClN3O/c23-18-8-9-20-19(15-18)22(27)25-21(24-20)7-4-12-26-13-10-17(11-14-26)16-5-2-1-3-6-16/h1-3,5-6,8-10,15H,4,7,11-14H2,(H,24,25,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human recombinant Poly (ADP-ribose) polymerase 1				J Med Chem 47: 4151-4 (2004) Article DOI: 10.1021/jm0499256 BindingDB Entry DOI: 10.7270/Q21G0KQ6
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27720 (3-(4-chlorophenyl)quinoxaline-5-carboxamide | quin...) Show SMILES NC(=O)c1cccc2ncc(nc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C15H10ClN3O/c16-10-6-4-9(5-7-10)13-8-18-12-3-1-2-11(15(17)20)14(12)19-13/h1-8H,(H2,17,20)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	8.0	23
Fujisawa Pharmaceutical Co. Ltd					Assay Description To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...				Bioorg Med Chem 14: 1378-90 (2006) Article DOI: 10.1016/j.bmc.2005.09.061 BindingDB Entry DOI: 10.7270/Q2610XPZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50151023 (2-[3-(4-Biphenyl-4-yl-3,6-dihydro-2H-pyridin-1-yl)...) Show SMILES O=c1[nH]c(CCCN2CCC(=CC2)c2ccc(cc2)-c2ccccc2)nc2ccccc12 |c:10| Show InChI InChI=1S/C28H27N3O/c32-28-25-9-4-5-10-26(25)29-27(30-28)11-6-18-31-19-16-24(17-20-31)23-14-12-22(13-15-23)21-7-2-1-3-8-21/h1-5,7-10,12-16H,6,11,17-20H2,(H,29,30,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human recombinant Poly (ADP-ribose) polymerase 1				J Med Chem 47: 4151-4 (2004) Article DOI: 10.1021/jm0499256 BindingDB Entry DOI: 10.7270/Q21G0KQ6
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50151019 (2-{3-[4-(2-Fluoro-phenyl)-3,6-dihydro-2H-pyridin-1...) Show SMILES Fc1ccccc1C1=CCN(CCCc2nc3ccccc3c(=O)[nH]2)CC1 |t:8| Show InChI InChI=1S/C22H22FN3O/c23-19-8-3-1-6-17(19)16-11-14-26(15-12-16)13-5-10-21-24-20-9-4-2-7-18(20)22(27)25-21/h1-4,6-9,11H,5,10,12-15H2,(H,24,25,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human recombinant Poly (ADP-ribose) polymerase 1				J Med Chem 47: 4151-4 (2004) Article DOI: 10.1021/jm0499256 BindingDB Entry DOI: 10.7270/Q21G0KQ6
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50151037 (6,8-Dichloro-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin...) Show SMILES Clc1cc(Cl)c2nc(CCCN3CCC(=CC3)c3ccccc3)[nH]c(=O)c2c1 |c:14| Show InChI InChI=1S/C22H21Cl2N3O/c23-17-13-18-21(19(24)14-17)25-20(26-22(18)28)7-4-10-27-11-8-16(9-12-27)15-5-2-1-3-6-15/h1-3,5-6,8,13-14H,4,7,9-12H2,(H,25,26,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human recombinant Poly (ADP-ribose) polymerase 1				J Med Chem 47: 4151-4 (2004) Article DOI: 10.1021/jm0499256 BindingDB Entry DOI: 10.7270/Q21G0KQ6
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50220856 (2-(3-(4-phenylpiperidin-1-yl)propyl)quinazolin-4(3...) Show SMILES O=c1[nH]c(CCCN2CCC(CC2)c2ccccc2)nc2ccccc12 Show InChI InChI=1S/C22H25N3O/c26-22-19-9-4-5-10-20(19)23-21(24-22)11-6-14-25-15-12-18(13-16-25)17-7-2-1-3-8-17/h1-5,7-10,18H,6,11-16H2,(H,23,24,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human recombinant Poly (ADP-ribose) polymerase 1				J Med Chem 47: 4151-4 (2004) Article DOI: 10.1021/jm0499256 BindingDB Entry DOI: 10.7270/Q21G0KQ6
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27717 (4-{4-[4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin...) Show SMILES Fc1ccc(cc1)C1=CCN(CCCCc2n[nH]c(=O)c3ccccc23)CC1 |t:8| Show InChI InChI=1S/C23H24FN3O/c24-19-10-8-17(9-11-19)18-12-15-27(16-13-18)14-4-3-7-22-20-5-1-2-6-21(20)23(28)26-25-22/h1-2,5-6,8-12H,3-4,7,13-16H2,(H,26,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	8.0	23
Fujisawa Pharmaceutical Co. Ltd					Assay Description To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...				Bioorg Med Chem 14: 1378-90 (2006) Article DOI: 10.1016/j.bmc.2005.09.061 BindingDB Entry DOI: 10.7270/Q2610XPZ
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50033609 (CHEMBL306267 | N*1*-[1-(Benzyl-methyl-carbamoyl)-2...) Show SMILES C[C@@H](O)C(NC(=O)CC(NC(=O)c1cc2ccccc2[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1)C(N)=O Show InChI InChI=1S/C34H38N6O6/c1-21(41)30(31(35)43)39-29(42)19-27(37-32(44)26-18-24-15-9-10-16-25(24)36-26)33(45)38-28(17-22-11-5-3-6-12-22)34(46)40(2)20-23-13-7-4-8-14-23/h3-16,18,21,27-28,30,36,41H,17,19-20H2,1-2H3,(H2,35,43)(H,37,44)(H,38,45)(H,39,42)/t21-,27?,28-,30?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Tested for inhibition against [3H]-SP (substance P) (1 nM) binding to NK1 receptor in guinea pig lung membranes				J Med Chem 36: 2266-78 (1993) BindingDB Entry DOI: 10.7270/Q2TQ60K6
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27714 (5-fluoro-1-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-...) Show SMILES Fc1cccc2n(CCCCN3CCC(=CC3)c3ccccc3)c(=O)[nH]c(=O)c12 |c:14| Show InChI InChI=1S/C23H24FN3O2/c24-19-9-6-10-20-21(19)22(28)25-23(29)27(20)14-5-4-13-26-15-11-18(12-16-26)17-7-2-1-3-8-17/h1-3,6-11H,4-5,12-16H2,(H,25,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	8.0	23
Fujisawa Pharmaceutical Co. Ltd					Assay Description To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...				Bioorg Med Chem 14: 1378-90 (2006) Article DOI: 10.1016/j.bmc.2005.09.061 BindingDB Entry DOI: 10.7270/Q2610XPZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27714 (5-fluoro-1-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-...) Show SMILES Fc1cccc2n(CCCCN3CCC(=CC3)c3ccccc3)c(=O)[nH]c(=O)c12 |c:14| Show InChI InChI=1S/C23H24FN3O2/c24-19-9-6-10-20-21(19)22(28)25-23(29)27(20)14-5-4-13-26-15-11-18(12-16-26)17-7-2-1-3-8-17/h1-3,6-11H,4-5,12-16H2,(H,25,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human recombinant Poly (ADP-ribose) polymerase 1				J Med Chem 47: 4151-4 (2004) Article DOI: 10.1021/jm0499256 BindingDB Entry DOI: 10.7270/Q21G0KQ6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27710 (5-Chloro-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-y...) Show SMILES Clc1cccc2nc(CCCN3CCC(=CC3)c3ccccc3)[nH]c(=O)c12 |c:14| Show InChI InChI=1S/C22H22ClN3O/c23-18-8-4-9-19-21(18)22(27)25-20(24-19)10-5-13-26-14-11-17(12-15-26)16-6-2-1-3-7-16/h1-4,6-9,11H,5,10,12-15H2,(H,24,25,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human recombinant Poly (ADP-ribose) polymerase 1				J Med Chem 47: 4151-4 (2004) Article DOI: 10.1021/jm0499256 BindingDB Entry DOI: 10.7270/Q21G0KQ6
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50151022 (8-Ethyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl...) Show SMILES CCc1cccc2c1nc(CCCN1CCC(=CC1)c1ccccc1)[nH]c2=O |c:17| Show InChI InChI=1S/C24H27N3O/c1-2-18-10-6-11-21-23(18)25-22(26-24(21)28)12-7-15-27-16-13-20(14-17-27)19-8-4-3-5-9-19/h3-6,8-11,13H,2,7,12,14-17H2,1H3,(H,25,26,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human recombinant Poly (ADP-ribose) polymerase 1				J Med Chem 47: 4151-4 (2004) Article DOI: 10.1021/jm0499256 BindingDB Entry DOI: 10.7270/Q21G0KQ6
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27710 (5-Chloro-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-y...) Show SMILES Clc1cccc2nc(CCCN3CCC(=CC3)c3ccccc3)[nH]c(=O)c12 |c:14| Show InChI InChI=1S/C22H22ClN3O/c23-18-8-4-9-19-21(18)22(27)25-20(24-19)10-5-13-26-14-11-17(12-15-26)16-6-2-1-3-7-16/h1-4,6-9,11H,5,10,12-15H2,(H,24,25,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	8.0	23
Fujisawa Pharmaceutical Co. Ltd					Assay Description To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...				Bioorg Med Chem 14: 1378-90 (2006) Article DOI: 10.1016/j.bmc.2005.09.061 BindingDB Entry DOI: 10.7270/Q2610XPZ
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Mus musculus (Mouse))	BDBM27713 (1-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)buty...) Show SMILES O=c1[nH]c(=O)c2ccccc2n1CCCCN1CCC(=CC1)c1ccccc1 |c:21| Show InChI InChI=1S/C23H25N3O2/c27-22-20-10-4-5-11-21(20)26(23(28)24-22)15-7-6-14-25-16-12-19(13-17-25)18-8-2-1-3-9-18/h1-5,8-12H,6-7,13-17H2,(H,24,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	25
Fujisawa Pharmaceutical Co. Ltd					Assay Description To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...				Bioorg Med Chem 14: 1378-90 (2006) Article DOI: 10.1016/j.bmc.2005.09.061 BindingDB Entry DOI: 10.7270/Q2610XPZ
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27723 (3-(4-methoxyphenyl)quinoxaline-5-carboxamide | CHE...) Show SMILES COc1ccc(cc1)-c1cnc2cccc(C(N)=O)c2n1 Show InChI InChI=1S/C16H13N3O2/c1-21-11-7-5-10(6-8-11)14-9-18-13-4-2-3-12(16(17)20)15(13)19-14/h2-9H,1H3,(H2,17,20)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	8.0	23
Fujisawa Pharmaceutical Co. Ltd					Assay Description To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...				Bioorg Med Chem 14: 1378-90 (2006) Article DOI: 10.1016/j.bmc.2005.09.061 BindingDB Entry DOI: 10.7270/Q2610XPZ
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50151031 (2-[3-(4-Phenyl-piperazin-1-yl)-propyl]-3H-quinazol...) Show SMILES O=c1[nH]c(CCCN2CCN(CC2)c2ccccc2)nc2ccccc12 Show InChI InChI=1S/C21H24N4O/c26-21-18-9-4-5-10-19(18)22-20(23-21)11-6-12-24-13-15-25(16-14-24)17-7-2-1-3-8-17/h1-5,7-10H,6,11-16H2,(H,22,23,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human recombinant Poly (ADP-ribose) polymerase 1				J Med Chem 47: 4151-4 (2004) Article DOI: 10.1021/jm0499256 BindingDB Entry DOI: 10.7270/Q21G0KQ6
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50151010 (2-[3-(1,3,4,9-Tetrahydro-beta-carbolin-2-yl)-propy...) Show SMILES O=c1[nH]c(CCCN2CCc3c(C2)[nH]c2ccccc32)nc2ccccc12 Show InChI InChI=1S/C22H22N4O/c27-22-17-7-2-4-9-19(17)24-21(25-22)10-5-12-26-13-11-16-15-6-1-3-8-18(15)23-20(16)14-26/h1-4,6-9,23H,5,10-14H2,(H,24,25,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human recombinant Poly (ADP-ribose) polymerase 1				J Med Chem 47: 4151-4 (2004) Article DOI: 10.1021/jm0499256 BindingDB Entry DOI: 10.7270/Q21G0KQ6
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27718 (2-(3-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)propyl)...) Show SMILES O=c1[nH]c2ccc(CCCN3CCC(=CC3)c3ccccc3)cc2c2ccccc12 |c:13| Show InChI InChI=1S/C27H26N2O/c30-27-24-11-5-4-10-23(24)25-19-20(12-13-26(25)28-27)7-6-16-29-17-14-22(15-18-29)21-8-2-1-3-9-21/h1-5,8-14,19H,6-7,15-18H2,(H,28,30)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	8.0	23
Fujisawa Pharmaceutical Co. Ltd					Assay Description To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...				Bioorg Med Chem 14: 1378-90 (2006) Article DOI: 10.1016/j.bmc.2005.09.061 BindingDB Entry DOI: 10.7270/Q2610XPZ
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 107 total )  |  Next  |  Last  >>

Jump to: