Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 462.4 BDBM50298905

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))	BDBM50298905 (2-hydroxy-N-(2-(3-isopropyl-2-oxo-7-(3-(trifluorom...) Show SMILES CC(C)c1nc2ccc(NCc3cccc(c3)C(F)(F)F)cc2n(CCNC(=O)CO)c1=O Show InChI InChI=1S/C23H25F3N4O3/c1-14(2)21-22(33)30(9-8-27-20(32)13-31)19-11-17(6-7-18(19)29-21)28-12-15-4-3-5-16(10-15)23(24,25)26/h3-7,10-11,14,28,31H,8-9,12-13H2,1-2H3,(H,27,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+3	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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