Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 419.8 BDBM50259089

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits 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
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50259089 (CHEMBL512775 | benzyl 3-(4-chlorobenzyl)-4-oxo-3,4...) Show SMILES Clc1ccc(Cn2cnc3ccc(NC(=O)OCc4ccccc4)cc3c2=O)cc1 Show InChI InChI=1S/C23H18ClN3O3/c24-18-8-6-16(7-9-18)13-27-15-25-21-11-10-19(12-20(21)22(27)28)26-23(29)30-14-17-4-2-1-3-5-17/h1-12,15H,13-14H2,(H,26,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc Curated by ChEMBL					Assay Description Inhibition of delta(9)-desaturase from human HepG2 cells				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
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50259089 (CHEMBL512775 | benzyl 3-(4-chlorobenzyl)-4-oxo-3,4...) Show SMILES Clc1ccc(Cn2cnc3ccc(NC(=O)OCc4ccccc4)cc3c2=O)cc1 Show InChI InChI=1S/C23H18ClN3O3/c24-18-8-6-16(7-9-18)13-27-15-25-21-11-10-19(12-20(21)22(27)28)26-23(29)30-14-17-4-2-1-3-5-17/h1-12,15H,13-14H2,(H,26,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	260	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