Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50309391'   

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))	BDBM50309391 (4-(3-(1,4-diazepane-1-carbonyl)-4-fluorobenzyl)-7,...) Show SMILES Fc1ccc(Cc2c[nH]c(=O)c3c(Cl)c(Cl)cn23)cc1C(=O)N1CCCNCC1 Show InChI InChI=1S/C20H19Cl2FN4O2/c21-15-11-27-13(10-25-19(28)18(27)17(15)22)8-12-2-3-16(23)14(9-12)20(29)26-6-1-4-24-5-7-26/h2-3,9-11,24H,1,4-8H2,(H,25,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	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