Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50060698'   

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))	BDBM50060698 (CHEMBL3394708) Show SMILES COc1ccc2c(CCN3C(=O)c4ccccc4C23O)c1 Show InChI InChI=1S/C17H15NO3/c1-21-12-6-7-14-11(10-12)8-9-18-16(19)13-4-2-3-5-15(13)17(14,18)20/h2-7,10,20H,8-9H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pondicherry University Curated by ChEMBL					Assay Description Inhibition of PARP1 (unknown origin) in presence of NAD+ by homogenous fluorescence plate assay				Bioorg Med Chem 23: 488-98 (2015) Article DOI: 10.1016/j.bmc.2014.12.017 BindingDB Entry DOI: 10.7270/Q2BV7J9N
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