Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 526.5 BDBM50425254

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))	BDBM50425254 (CHEMBL2315518) Show SMILES COc1ccc(c(c1)C(=O)N1CCN(CC1)c1ccc(cn1)C(=O)NCCCc1ccccc1)C(F)(F)F Show InChI InChI=1S/C28H29F3N4O3/c1-38-22-10-11-24(28(29,30)31)23(18-22)27(37)35-16-14-34(15-17-35)25-12-9-21(19-33-25)26(36)32-13-5-8-20-6-3-2-4-7-20/h2-4,6-7,9-12,18-19H,5,8,13-17H2,1H3,(H,32,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+5	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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