Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50154722'   

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))	BDBM50154722 (6-(4-Fluoro-phenyl)-7-methyl-3,4-dihydro-2H-[1,4]d...) Show SMILES Cc1c(-c2ccc(F)cc2)n2CCNC(=O)c3cccc1c23 Show InChI InChI=1S/C18H15FN2O/c1-11-14-3-2-4-15-17(14)21(10-9-20-18(15)22)16(11)12-5-7-13(19)8-6-12/h2-8H,9-10H2,1H3,(H,20,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D--La Jolla Laboratories Curated by ChEMBL					Assay Description Inhibition of human Poly (ADP-ribose) polymerase 1 enzyme				J Med Chem 47: 5467-81 (2004) Article DOI: 10.1021/jm030513r BindingDB Entry DOI: 10.7270/Q2PK0FM4
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