Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acyl-CoA desaturase 1' and Ligand = 'BDBM50259217'   

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
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50259217 (CHEMBL512969 | N-(3-(3,4-dichlorobenzyl)-4-oxo-3,4...) Show SMILES OCC(=O)Nc1ccc2c(c1)ncn(Cc1ccc(Cl)c(Cl)c1)c2=O Show InChI InChI=1S/C17H13Cl2N3O3/c18-13-4-1-10(5-14(13)19)7-22-9-20-15-6-11(21-16(24)8-23)2-3-12(15)17(22)25/h1-6,9,23H,7-8H2,(H,21,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	348	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc Curated by ChEMBL					Assay Description Inhibition of rat microsomal delta(9)-desaturase				Bioorg Med Chem Lett 19: 3050-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.004 BindingDB Entry DOI: 10.7270/Q2W095TX
					More data for this Ligand-Target Pair