Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50238419'   

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))	BDBM50238419 (CHEMBL4060134) Show SMILES Cn1cnc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1 Show InChI InChI=1S/C24H22N10O2/c1-31-14-19(25-15-31)24(36)33-12-10-32(11-13-33)23(35)16-6-8-17(9-7-16)26-21-22-28-29-30-34(22)20-5-3-2-4-18(20)27-21/h2-9,14-15H,10-13H2,1H3,(H,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
A GlaxoSmithKline Company Curated by ChEMBL					Assay Description Inhibition of human PARP1 using biotin-histone as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr in presence o...				J Med Chem 60: 5455-5471 (2017) Article DOI: 10.1021/acs.jmedchem.7b00137 BindingDB Entry DOI: 10.7270/Q2X350RS
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50238419 (CHEMBL4060134) Show SMILES Cn1cnc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1 Show InChI InChI=1S/C24H22N10O2/c1-31-14-19(25-15-31)24(36)33-12-10-32(11-13-33)23(35)16-6-8-17(9-7-16)26-21-22-28-29-30-34(22)20-5-3-2-4-18(20)27-21/h2-9,14-15H,10-13H2,1H3,(H,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
A GlaxoSmithKline Company Curated by ChEMBL					Assay Description Binding affinity to PARP1 in human Jurkat cell extract after 45 mins by mass spectrometric analysis				J Med Chem 60: 5455-5471 (2017) Article DOI: 10.1021/acs.jmedchem.7b00137 BindingDB Entry DOI: 10.7270/Q2X350RS
					More data for this Ligand-Target Pair