Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50295215'   

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))	BDBM50295215 (CHEMBL550382 | N-((1-methylpyrrolidin-3-yl)methyl)...) Show SMILES CN1CCC(CNC(=O)c2cc3[nH]c(=O)c4ccccc4n3n2)C1 Show InChI InChI=1S/C17H19N5O2/c1-21-7-6-11(10-21)9-18-17(24)13-8-15-19-16(23)12-4-2-3-5-14(12)22(15)20-13/h2-5,8,11H,6-7,9-10H2,1H3,(H,18,24)(H,19,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
IRBM - Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1 by scintillation proximity assay				Bioorg Med Chem Lett 19: 4196-200 (2009) Article DOI: 10.1016/j.bmcl.2009.05.113 BindingDB Entry DOI: 10.7270/Q2MG7PHP
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