Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 480.5 BDBM50296520

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

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)	BDBM50296520 (3-(2-hydroxy-2-methylpropoxy)-4-methoxy-N-(5-(3-(t...) Show SMILES COc1ccc(cc1OCC(C)(C)O)C(=O)Nc1ncc(Cc2cccc(c2)C(F)(F)F)s1 Show InChI InChI=1S/C23H23F3N2O4S/c1-22(2,30)13-32-19-11-15(7-8-18(19)31-3)20(29)28-21-27-12-17(33-21)10-14-5-4-6-16(9-14)23(24,25)26/h4-9,11-12,30H,10,13H2,1-3H3,(H,27,28,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of SCD1 in mouse microsomes assessed as conversion of [14C]stearate to [14C]oleate after 60 mins				Bioorg Med Chem Lett 19: 4151-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.119 BindingDB Entry DOI: 10.7270/Q21836H1
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