Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50296564'   

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))	BDBM50296564 (3,3-difluoro-N-(2-(6-oxo-6,7,8,9-tetrahydro-3H-pyr...) Show SMILES FC1(F)CN(CCCN1)C(=O)NCCc1c[nH]c2ccc3C(=O)NCCc3c12 Show InChI InChI=1S/C19H23F2N5O2/c20-19(21)11-26(9-1-6-25-19)18(28)23-7-4-12-10-24-15-3-2-14-13(16(12)15)5-8-22-17(14)27/h2-3,10,24-25H,1,4-9,11H2,(H,22,27)(H,23,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
IRBM--Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1 in human HeLa cells by microplate scintillation counting				Bioorg Med Chem Lett 19: 4042-5 (2009) Article DOI: 10.1016/j.bmcl.2009.06.031 BindingDB Entry DOI: 10.7270/Q2WH2Q09
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