Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 383.3 BDBM50060662

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)	BDBM50060662 (CHEMBL3394700) Show SMILES Fc1ccc(Cn2ncn(-c3cc([nH]n3)C(=O)NCc3cocn3)c2=O)cc1 Show InChI InChI=1S/C17H14FN7O3/c18-12-3-1-11(2-4-12)7-25-17(27)24(9-21-25)15-5-14(22-23-15)16(26)19-6-13-8-28-10-20-13/h1-5,8-10H,6-7H2,(H,19,26)(H,22,23)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	165	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...				Bioorg Med Chem 23: 455-65 (2015) Article DOI: 10.1016/j.bmc.2014.12.014 BindingDB Entry DOI: 10.7270/Q2GM890X
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