Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 341.3 BDBM50301058Purchase

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))	BDBM50301058 ((4-(thiazol-2-yl)piperazin-1-yl)(2-(trifluoromethy...) Show SMILES FC(F)(F)c1ccccc1C(=O)N1CCN(CC1)c1nccs1 Show InChI InChI=1S/C15H14F3N3OS/c16-15(17,18)12-4-2-1-3-11(12)13(22)20-6-8-21(9-7-20)14-19-5-10-23-14/h1-5,10H,6-9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.00E+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 rat liver microsomes assessed as formation of oleoyl-CoA from 9,10-3H-steroyl-CoA				Bioorg Med Chem Lett 19: 5214-7 (2009) Article DOI: 10.1016/j.bmcl.2009.07.015 BindingDB Entry DOI: 10.7270/Q2V9884M
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50301058 ((4-(thiazol-2-yl)piperazin-1-yl)(2-(trifluoromethy...) Show SMILES FC(F)(F)c1ccccc1C(=O)N1CCN(CC1)c1nccs1 Show InChI InChI=1S/C15H14F3N3OS/c16-15(17,18)12-4-2-1-3-11(12)13(22)20-6-8-21(9-7-20)14-19-5-10-23-14/h1-5,10H,6-9H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.30E+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 human HepG2 cells by whole cell assay				Bioorg Med Chem Lett 19: 5214-7 (2009) Article DOI: 10.1016/j.bmcl.2009.07.015 BindingDB Entry DOI: 10.7270/Q2V9884M
					More data for this Ligand-Target Pair