Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 494.4 BDBM50429987

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))	BDBM50429987 (CHEMBL2334629) Show SMILES FC(F)(F)c1ccccc1Oc1ccc2nc([nH]c2c1)-c1cccc(c1)C(=O)NCc1nccs1 Show InChI InChI=1S/C25H17F3N4O2S/c26-25(27,28)18-6-1-2-7-21(18)34-17-8-9-19-20(13-17)32-23(31-19)15-4-3-5-16(12-15)24(33)30-14-22-29-10-11-35-22/h1-13H,14H2,(H,30,33)(H,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsomes using [14C] stearic acid as substrate incubated for 10 mins prior to substrate addition measured af...				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
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