Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 492.4 BDBM50060675

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)	BDBM50060675 (CHEMBL3394677) Show SMILES Cc1nc(sc1C(=O)NCc1ccc(nc1)C(F)(F)F)-n1cnn(Cc2ccc(F)cc2)c1=O Show InChI InChI=1S/C21H16F4N6O2S/c1-12-17(18(32)27-9-14-4-7-16(26-8-14)21(23,24)25)34-19(29-12)30-11-28-31(20(30)33)10-13-2-5-15(22)6-3-13/h2-8,11H,9-10H2,1H3,(H,27,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.72E+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...				Bioorg Med Chem 23: 455-65 (2015) Article DOI: 10.1016/j.bmc.2014.12.014 BindingDB Entry DOI: 10.7270/Q2GM890X
					More data for this Ligand-Target Pair