Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 356.2 BDBM50312690

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))	BDBM50312690 (3-(4-(2-(trifluoromethyl)phenoxy)piperidin-1-yl)-1...) Show SMILES NC(=O)c1nc(no1)N1CCC(CC1)Oc1ccccc1C(F)(F)F Show InChI InChI=1S/C15H15F3N4O3/c16-15(17,18)10-3-1-2-4-11(10)24-9-5-7-22(8-6-9)14-20-13(12(19)23)25-21-14/h1-4,9H,5-8H2,(H2,19,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsome assessed as [3H]stearoyl-CoA to [3H]oleoyl-CoA conversion pretreated 1 hr before [3H]stearoyl-CoA ad...				Bioorg Med Chem Lett 20: 1593-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.083 BindingDB Entry DOI: 10.7270/Q2DJ5FR0
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