Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 497.5 BDBM50424827

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)	BDBM50424827 (CHEMBL2315106) Show SMILES CC(CNC(=O)c1ccc(nn1)N1CCN(CC1)C(=O)c1ccccc1C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C26H26F3N5O2/c1-18(19-7-3-2-4-8-19)17-30-24(35)22-11-12-23(32-31-22)33-13-15-34(16-14-33)25(36)20-9-5-6-10-21(20)26(27,28)29/h2-12,18H,13-17H2,1H3,(H,30,35)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in ICR mouse liver microsome using [9,10 3H]- stearoyl-Coenzyme A substrate assessed as decreased production of tritiated water af...				J Med Chem 56: 568-83 (2013) Article DOI: 10.1021/jm301661h BindingDB Entry DOI: 10.7270/Q25Q4XDG
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50424827 (CHEMBL2315106) Show SMILES CC(CNC(=O)c1ccc(nn1)N1CCN(CC1)C(=O)c1ccccc1C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C26H26F3N5O2/c1-18(19-7-3-2-4-8-19)17-30-24(35)22-11-12-23(32-31-22)33-13-15-34(16-14-33)25(36)20-9-5-6-10-21(20)26(27,28)29/h2-12,18H,13-17H2,1H3,(H,30,35)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in human HepG2 cells using [14C]-stearate substrate assessed as decreased production of [14C]-oleic acid after 24 hrs				J Med Chem 56: 568-83 (2013) Article DOI: 10.1021/jm301661h BindingDB Entry DOI: 10.7270/Q25Q4XDG
					More data for this Ligand-Target Pair