Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50130586'   

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))	BDBM50130586 (2-Dimethylamino-N-(6-oxo-5,6-dihydro-benzo[c][1,5]...) Show SMILES CN(C)CC(=O)Nc1cnc2c(c1)[nH]c(=O)c1ccccc21 Show InChI InChI=1S/C16H16N4O2/c1-20(2)9-14(21)18-10-7-13-15(17-8-10)11-5-3-4-6-12(11)16(22)19-13/h3-8H,9H2,1-2H3,(H,18,21)(H,19,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	165	n/a	n/a	n/a	n/a	n/a	n/a
Guilford Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibitory activity against Poly (ADP-ribose) polymerase 1				J Med Chem 46: 3138-51 (2003) Article DOI: 10.1021/jm030109s BindingDB Entry DOI: 10.7270/Q2Z89D5P
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