Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50416360'   

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))	BDBM50416360 (CHEMBL1171298) Show SMILES CCc1cc2cc(ccc2[nH]c1=O)C(CCN1CCCCC1)Cc1ccc2OCCOc2c1 Show InChI InChI=1S/C28H34N2O3/c1-2-21-18-24-19-22(7-8-25(24)29-28(21)31)23(10-13-30-11-4-3-5-12-30)16-20-6-9-26-27(17-20)33-15-14-32-26/h6-9,17-19,23H,2-5,10-16H2,1H3,(H,29,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University Brain Science Institute Curated by ChEMBL					Assay Description Inhibition of PARP1				J Med Chem 53: 4561-84 (2010) Article DOI: 10.1021/jm100012m BindingDB Entry DOI: 10.7270/Q2NV9JF0
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