Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 359.3 BDBM50445738

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)	BDBM50445738 (CHEMBL3104406) Show SMILES Cc1nc(sc1C(=O)NCc1cccc(F)c1)-n1ccc(O)cc1=O Show InChI InChI=1S/C17H14FN3O3S/c1-10-15(16(24)19-9-11-3-2-4-12(18)7-11)25-17(20-10)21-6-5-13(22)8-14(21)23/h2-8,22H,9H2,1H3,(H,19,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in mouse liver microsomes				Bioorg Med Chem Lett 24: 526-31 (2014) Article DOI: 10.1016/j.bmcl.2013.12.035 BindingDB Entry DOI: 10.7270/Q20003J1
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50445738 (CHEMBL3104406) Show SMILES Cc1nc(sc1C(=O)NCc1cccc(F)c1)-n1ccc(O)cc1=O Show InChI InChI=1S/C17H14FN3O3S/c1-10-15(16(24)19-9-11-3-2-4-12(18)7-11)25-17(20-10)21-6-5-13(22)8-14(21)23/h2-8,22H,9H2,1H3,(H,19,24)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	137	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 radiolabeled stearic acid as substrate				Bioorg Med Chem Lett 24: 526-31 (2014) Article DOI: 10.1016/j.bmcl.2013.12.035 BindingDB Entry DOI: 10.7270/Q20003J1
					More data for this Ligand-Target Pair