Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 477.6 BDBM50425282

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))	BDBM50425282 (CHEMBL2315499) Show SMILES CC(NC(C)=O)N1CCC2(CCN(CC2)C(=O)Cc2ccc(cc2)C(C)(C)C)Oc2ccccc12 Show InChI InChI=1S/C29H39N3O3/c1-21(30-22(2)33)32-19-16-29(35-26-9-7-6-8-25(26)32)14-17-31(18-15-29)27(34)20-23-10-12-24(13-11-23)28(3,4)5/h6-13,21H,14-20H2,1-5H3,(H,30,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	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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