Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 343.7 BDBM50259219

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))	BDBM50259219 (CHEMBL467090 | N-(3-(3-chlorobenzyl)-4-oxo-3,4-dih...) Show SMILES OCC(=O)Nc1ccc2c(c1)ncn(Cc1cccc(Cl)c1)c2=O Show InChI InChI=1S/C17H14ClN3O3/c18-12-3-1-2-11(6-12)8-21-10-19-15-7-13(20-16(23)9-22)4-5-14(15)17(21)24/h1-7,10,22H,8-9H2,(H,20,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc Curated by ChEMBL					Assay Description Inhibition of rat microsomal delta(9)-desaturase				Bioorg Med Chem Lett 19: 3050-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.004 BindingDB Entry DOI: 10.7270/Q2W095TX
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