Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 459.4 BDBM50424816

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)	BDBM50424816 (CHEMBL2315117) Show SMILES FC(F)(F)c1ccccc1C(=O)N1CCN(CC1)c1ccc(nn1)C(=O)NCc1ccn[nH]1 Show InChI InChI=1S/C21H20F3N7O2/c22-21(23,24)16-4-2-1-3-15(16)20(33)31-11-9-30(10-12-31)18-6-5-17(28-29-18)19(32)25-13-14-7-8-26-27-14/h1-8H,9-13H2,(H,25,32)(H,26,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in ICR mouse liver microsome using [9,10 3H]- stearoyl-Coenzyme A substrate assessed as decreased production of tritiated water af...				J Med Chem 56: 568-83 (2013) Article DOI: 10.1021/jm301661h BindingDB Entry DOI: 10.7270/Q25Q4XDG
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