Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 344.7 BDBM50259259

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))	BDBM50259259 (CHEMBL466889 | N-(3-(4-chlorobenzyl)-4-oxo-3,4-dih...) Show SMILES OCC(=O)Nc1cnc2ncn(Cc3ccc(Cl)cc3)c(=O)c2c1 Show InChI InChI=1S/C16H13ClN4O3/c17-11-3-1-10(2-4-11)7-21-9-19-15-13(16(21)24)5-12(6-18-15)20-14(23)8-22/h1-6,9,22H,7-8H2,(H,20,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.58E+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
					More data for this Ligand-Target Pair