Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 456.9 BDBM50424804

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)	BDBM50424804 (CHEMBL2315128) Show SMILES CN(C)c1ccc(Cl)c(c1)C(=O)N1CCN(CC1)c1ccc(nn1)C(=O)NCCC1CC1 Show InChI InChI=1S/C23H29ClN6O2/c1-28(2)17-5-6-19(24)18(15-17)23(32)30-13-11-29(12-14-30)21-8-7-20(26-27-21)22(31)25-10-9-16-3-4-16/h5-8,15-16H,3-4,9-14H2,1-2H3,(H,25,31)	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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