Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 412.4 BDBM50296535Purchase

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)	BDBM50296535 (CHEMBL558808 | N-(5-(3-(trifluoromethyl)benzyl)thi...) Show SMILES FC(F)(F)c1cccc(Cc2cnc(NC(=O)c3ccc4ccccc4c3)s2)c1 Show InChI InChI=1S/C22H15F3N2OS/c23-22(24,25)18-7-3-4-14(10-18)11-19-13-26-21(29-19)27-20(28)17-9-8-15-5-1-2-6-16(15)12-17/h1-10,12-13H,11H2,(H,26,27,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase 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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