Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acyl-CoA desaturase 1' and Ligand = 'BDBM50424809'   

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 (Mus musculus)	BDBM50424809 (CHEMBL2315124) Show SMILES Cc1cc(C(=O)N2CCN(CC2)c2ccc(nn2)C(=O)NCCC2CC2)c(o1)C(F)(F)F Show InChI InChI=1S/C21H24F3N5O3/c1-13-12-15(18(32-13)21(22,23)24)20(31)29-10-8-28(9-11-29)17-5-4-16(26-27-17)19(30)25-7-6-14-2-3-14/h4-5,12,14H,2-3,6-11H2,1H3,(H,25,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in ICR mouse liver microsome using [9,10 3H]- stearoyl-Coenzyme A substrate assessed as decreased production of tritiated water af...				J Med Chem 56: 568-83 (2013) Article DOI: 10.1021/jm301661h BindingDB Entry DOI: 10.7270/Q25Q4XDG
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