Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 396.3 BDBM50312700

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))	BDBM50312700 (3-(2-(4-(2-(trifluoromethyl)phenoxy)piperidin-1-yl...) Show SMILES FC(F)(F)c1ccccc1OC1CCN(CC1)c1ncc(s1)-c1ncon1 Show InChI InChI=1S/C17H15F3N4O2S/c18-17(19,20)12-3-1-2-4-13(12)26-11-5-7-24(8-6-11)16-21-9-14(27-16)15-22-10-25-23-15/h1-4,9-11H,5-8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	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
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50312700 (3-(2-(4-(2-(trifluoromethyl)phenoxy)piperidin-1-yl...) Show SMILES FC(F)(F)c1ccccc1OC1CCN(CC1)c1ncc(s1)-c1ncon1 Show InChI InChI=1S/C17H15F3N4O2S/c18-17(19,20)12-3-1-2-4-13(12)26-11-5-7-24(8-6-11)16-21-9-14(27-16)15-22-10-25-23-15/h1-4,9-11H,5-8H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16	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 human HepG2 cells assessed as [14C]stearic acid to [14C]oleic acid conversion pretreated 15 mins before [14C]stearic acid addit...				Bioorg Med Chem Lett 20: 1593-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.083 BindingDB Entry DOI: 10.7270/Q2DJ5FR0
					More data for this Ligand-Target Pair