Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 392.1 BDBM50259261

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
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50259261 (2-(3-(3,4-dichlorobenzyl)-4-oxo-3,4-dihydroquinazo...) Show SMILES OC(=O)C(=O)Nc1ccc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1 Show InChI InChI=1S/C17H11Cl2N3O4/c18-12-3-1-9(5-13(12)19)7-22-8-20-14-4-2-10(6-11(14)16(22)24)21-15(23)17(25)26/h1-6,8H,7H2,(H,21,23)(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	890	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
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50259261 (2-(3-(3,4-dichlorobenzyl)-4-oxo-3,4-dihydroquinazo...) Show SMILES OC(=O)C(=O)Nc1ccc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1 Show InChI InChI=1S/C17H11Cl2N3O4/c18-12-3-1-9(5-13(12)19)7-22-8-20-14-4-2-10(6-11(14)16(22)24)21-15(23)17(25)26/h1-6,8H,7H2,(H,21,23)(H,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	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