Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50295218'   

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))	BDBM50295218 (2-(1,4-diazepane-1-carbonyl)pyrazolo[1,5-a]quinazo...) Show SMILES O=C(N1CCCNCC1)c1cc2[nH]c(=O)c3ccccc3n2n1 Show InChI InChI=1S/C16H17N5O2/c22-15-11-4-1-2-5-13(11)21-14(18-15)10-12(19-21)16(23)20-8-3-6-17-7-9-20/h1-2,4-5,10,17H,3,6-9H2,(H,18,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	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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