Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 392.3 BDBM50296538Purchase

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 (Mus musculus)	BDBM50296538 (3-methoxy-N-(5-(3-(trifluoromethyl)benzyl)thiazol-...) Show SMILES COc1cccc(c1)C(=O)Nc1ncc(Cc2cccc(c2)C(F)(F)F)s1 Show InChI InChI=1S/C19H15F3N2O2S/c1-26-15-7-3-5-13(10-15)17(25)24-18-23-11-16(27-18)9-12-4-2-6-14(8-12)19(20,21)22/h2-8,10-11H,9H2,1H3,(H,23,24,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	193	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of SCD1 in mouse microsomes assessed as conversion of [14C]stearate to [14C]oleate after 60 mins				Bioorg Med Chem Lett 19: 4151-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.119 BindingDB Entry DOI: 10.7270/Q21836H1
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50296538 (3-methoxy-N-(5-(3-(trifluoromethyl)benzyl)thiazol-...) Show SMILES COc1cccc(c1)C(=O)Nc1ncc(Cc2cccc(c2)C(F)(F)F)s1 Show InChI InChI=1S/C19H15F3N2O2S/c1-26-15-7-3-5-13(10-15)17(25)24-18-23-11-16(27-18)9-12-4-2-6-14(8-12)19(20,21)22/h2-8,10-11H,9H2,1H3,(H,23,24,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	915	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of SCD1 in human microsomes assessed as conversion of [14C]stearate to [14C]oleate after 60 mins				Bioorg Med Chem Lett 19: 4151-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.119 BindingDB Entry DOI: 10.7270/Q21836H1
					More data for this Ligand-Target Pair