Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Stearoyl-CoA desaturase' and Ligand = 'BDBM50257757'   

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))	BDBM50257757 (3-(6-(3,4-dichlorobenzylamino)-2-(4-methoxyphenyl)...) Show SMILES COc1ccc(cc1)-c1nc2ccc(NCc3ccc(Cl)c(Cl)c3)nc2n(CCC(N)=O)c1=O Show InChI InChI=1S/C24H21Cl2N5O3/c1-34-16-5-3-15(4-6-16)22-24(33)31(11-10-20(27)32)23-19(29-22)8-9-21(30-23)28-13-14-2-7-17(25)18(26)12-14/h2-9,12H,10-11,13H2,1H3,(H2,27,32)(H,28,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	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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