Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 423.4 BDBM50424807

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)	BDBM50424807 (CHEMBL2315126) Show SMILES OC(=O)c1ccccc1C(=O)N1CCN(CC1)c1ccc(nn1)C(=O)NCCC1CC1 Show InChI InChI=1S/C22H25N5O4/c28-20(23-10-9-15-5-6-15)18-7-8-19(25-24-18)26-11-13-27(14-12-26)21(29)16-3-1-2-4-17(16)22(30)31/h1-4,7-8,15H,5-6,9-14H2,(H,23,28)(H,30,31)	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
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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