Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50145088'   

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))	BDBM50145088 (CHEMBL3765275) Show SMILES CN(C)Cc1cccc(c1)C1C(Nc2cccc3c2c1n[nH]c3=O)c1ccccc1 Show InChI InChI=1S/C25H24N4O/c1-29(2)15-16-8-6-11-18(14-16)21-23(17-9-4-3-5-10-17)26-20-13-7-12-19-22(20)24(21)27-28-25(19)30/h3-14,21,23,26H,15H2,1-2H3,(H,28,30)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
BioMarin Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of human PARP1 using [3H]NAD as substrate after 1 min by microplate scintillation counting analysis				J Med Chem 59: 335-57 (2016) Article DOI: 10.1021/acs.jmedchem.5b01498 BindingDB Entry DOI: 10.7270/Q2K35WJR
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