Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acyl-CoA desaturase 1' and Ligand = 'BDBM50329971'   

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))	BDBM50329971 (4'-(6-(methylsulfonyl)-1H-benzo[d]imidazol-2-yl)bi...) Show SMILES CS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(cc1)-c1cccc(O)c1 Show InChI InChI=1S/C20H16N2O3S/c1-26(24,25)17-9-10-18-19(12-17)22-20(21-18)14-7-5-13(6-8-14)15-3-2-4-16(23)11-15/h2-12,23H,1H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	396	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of rat SCD1				Bioorg Med Chem Lett 20: 6366-9 (2010) Article DOI: 10.1016/j.bmcl.2010.09.094 BindingDB Entry DOI: 10.7270/Q20V8D1P
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