Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 527.5 BDBM50425276

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 (Rattus norvegicus (Rat))	BDBM50425276 (CHEMBL2315491) Show SMILES FC(F)(F)c1cccc(CC(=O)N2CCC3(CC2)CCN(CNC(=O)c2ccco2)c2ccccc2O3)c1 Show InChI InChI=1S/C28H28F3N3O4/c29-28(30,31)21-6-3-5-20(17-21)18-25(35)33-13-10-27(11-14-33)12-15-34(22-7-1-2-8-23(22)38-27)19-32-26(36)24-9-4-16-37-24/h1-9,16-17H,10-15,18-19H2,(H,32,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of rat SCD1 by rat microsomal assay				Bioorg Med Chem Lett 23: 791-6 (2013) Article DOI: 10.1016/j.bmcl.2012.11.075 BindingDB Entry DOI: 10.7270/Q26H4JQ6
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