Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Stearoyl-CoA desaturase' and Ligand = 'BDBM50257861'   

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
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50257861 (CHEMBL495359 | N-(2-(7-(3,4-dichlorobenzylamino)-2...) Show SMILES CC(=O)NCCn1c2cc(NCc3ccc(Cl)c(Cl)c3)ncc2nc(-c2cccnc2)c1=O Show InChI InChI=1S/C23H20Cl2N6O2/c1-14(32)27-7-8-31-20-10-21(28-11-15-4-5-17(24)18(25)9-15)29-13-19(20)30-22(23(31)33)16-3-2-6-26-12-16/h2-6,9-10,12-13H,7-8,11H2,1H3,(H,27,32)(H,28,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of Delta9-desaturase in human HepG2 cells				Bioorg Med Chem Lett 19: 2048-52 (2009) Article DOI: 10.1016/j.bmcl.2009.02.019 BindingDB Entry DOI: 10.7270/Q2XG9R1S
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