Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acyl-CoA desaturase 1' and Ligand = 'BDBM50424823'   

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)	BDBM50424823 (CHEMBL2315110) Show SMILES FC(F)(F)c1ccccc1C(=O)N1CCN(CC1)c1ccc(nn1)C(=O)Nc1nc2ccccc2[nH]1 Show InChI InChI=1S/C24H20F3N7O2/c25-24(26,27)16-6-2-1-5-15(16)22(36)34-13-11-33(12-14-34)20-10-9-19(31-32-20)21(35)30-23-28-17-7-3-4-8-18(17)29-23/h1-10H,11-14H2,(H2,28,29,30,35)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	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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