Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50296546'   

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))	BDBM50296546 (1-(2-((1-methyl-1H-pyrazol-4-yl)methylamino)ethyl)...) Show SMILES Cn1cc(CNCCc2c[nH]c3ccc4C(=O)NCCc4c23)cn1 Show InChI InChI=1S/C18H21N5O/c1-23-11-12(9-22-23)8-19-6-4-13-10-21-16-3-2-15-14(17(13)16)5-7-20-18(15)24/h2-3,9-11,19,21H,4-8H2,1H3,(H,20,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>500	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 in human HeLa cells by microplate scintillation counting				Bioorg Med Chem Lett 19: 4042-5 (2009) Article DOI: 10.1016/j.bmcl.2009.06.031 BindingDB Entry DOI: 10.7270/Q2WH2Q09
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