Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 515.6 BDBM50425277

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))	BDBM50425277 (CHEMBL2315490) Show SMILES CC(C)(C)c1ccc(CC(=O)N2CCC3(CC2)CCN(CNC(=O)c2ccco2)c2ccccc2O3)cc1 Show InChI InChI=1S/C31H37N3O4/c1-30(2,3)24-12-10-23(11-13-24)21-28(35)33-17-14-31(15-18-33)16-19-34(25-7-4-5-8-26(25)38-31)22-32-29(36)27-9-6-20-37-27/h4-13,20H,14-19,21-22H2,1-3H3,(H,32,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	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
					More data for this Ligand-Target Pair