Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 438.3 BDBM50298908

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))	BDBM50298908 ((+/-)-N-(2-(6-(3,4-dichlorobenzylamino)-2-methyl-3...) Show SMILES CC1Oc2ccc(NCc3ccc(Cl)c(Cl)c3)cc2N(CCNC(=O)CO)C1=O Show InChI InChI=1S/C20H21Cl2N3O4/c1-12-20(28)25(7-6-23-19(27)11-26)17-9-14(3-5-18(17)29-12)24-10-13-2-4-15(21)16(22)8-13/h2-5,8-9,12,24,26H,6-7,10-11H2,1H3,(H,23,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of stearoyl-CoA delta9 desaturase in rat microsome				Bioorg Med Chem Lett 19: 4070-4 (2009) Article DOI: 10.1016/j.bmcl.2009.06.017 BindingDB Entry DOI: 10.7270/Q2959HN8
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