Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 406.4 BDBM50060669

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)	BDBM50060669 (CHEMBL3394693) Show SMILES Cc1nc(sc1C(=O)NCc1cccnc1)-n1cnn(CC2CC2(F)F)c1=O Show InChI InChI=1S/C17H16F2N6O2S/c1-10-13(14(26)21-7-11-3-2-4-20-6-11)28-15(23-10)24-9-22-25(16(24)27)8-12-5-17(12,18)19/h2-4,6,9,12H,5,7-8H2,1H3,(H,21,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55	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...				Bioorg Med Chem 23: 455-65 (2015) Article DOI: 10.1016/j.bmc.2014.12.014 BindingDB Entry DOI: 10.7270/Q2GM890X
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50060669 (CHEMBL3394693) Show SMILES Cc1nc(sc1C(=O)NCc1cccnc1)-n1cnn(CC2CC2(F)F)c1=O Show InChI InChI=1S/C17H16F2N6O2S/c1-10-13(14(26)21-7-11-3-2-4-20-6-11)28-15(23-10)24-9-22-25(16(24)27)8-12-5-17(12,18)19/h2-4,6,9,12H,5,7-8H2,1H3,(H,21,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	306	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				Bioorg Med Chem 23: 455-65 (2015) Article DOI: 10.1016/j.bmc.2014.12.014 BindingDB Entry DOI: 10.7270/Q2GM890X
					More data for this Ligand-Target Pair