Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 368.4 BDBM50330002

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 (Rattus norvegicus (Rat))	BDBM50330002 (6-(methylsulfonyl)-2-(4-(3-methylthiophen-2-yl)phe...) Show SMILES Cc1ccsc1-c1ccc(cc1)-c1nc2ccc(cc2[nH]1)S(C)(=O)=O Show InChI InChI=1S/C19H16N2O2S2/c1-12-9-10-24-18(12)13-3-5-14(6-4-13)19-20-16-8-7-15(25(2,22)23)11-17(16)21-19/h3-11H,1-2H3,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	472	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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