Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50255502'   

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))	BDBM50255502 (2-(2-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)ethyl)p...) Show SMILES O=c1[nH]c2ccc(CCN3CCC(=CC3)c3ccccc3)cc2c2ccccc12 |c:12| Show InChI InChI=1S/C26H24N2O/c29-26-23-9-5-4-8-22(23)24-18-19(10-11-25(24)27-26)12-15-28-16-13-21(14-17-28)20-6-2-1-3-7-20/h1-11,13,18H,12,14-17H2,(H,27,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant PARP1				J Med Chem 52: 718-25 (2009) Article DOI: 10.1021/jm800902t BindingDB Entry DOI: 10.7270/Q2C53KPW
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