Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 515.5 BDBM50296312

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)	BDBM50296312 (3-(2-hydroxyethoxy)-4-(methylsulfonamido)-N-(5-(3-...) Show SMILES CS(=O)(=O)Nc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cccc(c2)C(F)(F)F)s1 Show InChI InChI=1S/C21H20F3N3O5S2/c1-34(30,31)27-17-6-5-14(11-18(17)32-8-7-28)19(29)26-20-25-12-16(33-20)10-13-3-2-4-15(9-13)21(22,23)24/h2-6,9,11-12,27-28H,7-8,10H2,1H3,(H,25,26,29)	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 stearoyl-CoA desaturase 1 in mouse microsome assessed as conversion of [14C]stearate to [14C]oleate				Bioorg Med Chem Lett 19: 4159-66 (2009) Article DOI: 10.1016/j.bmcl.2009.05.123 BindingDB Entry DOI: 10.7270/Q2PZ58VW
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