Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50309354'   

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))	BDBM50309354 (6,7-dichloro-4-(4-fluoro-3-(4-(methylamino)piperid...) Show SMILES CNC1CCN(CC1)C(=O)c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F Show InChI InChI=1S/C21H21Cl2FN4O2/c1-25-13-4-6-27(7-5-13)21(30)15-9-12(2-3-17(15)24)8-14-11-26-20(29)18-10-16(22)19(23)28(14)18/h2-3,9-11,13,25H,4-8H2,1H3,(H,26,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 by topcount microplate scintillation counter				Bioorg Med Chem Lett 20: 1094-9 (2010) Article DOI: 10.1016/j.bmcl.2009.12.026 BindingDB Entry DOI: 10.7270/Q2FB531P
					More data for this Ligand-Target Pair