Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 325.3 BDBM50445723

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)	BDBM50445723 (CHEMBL3104398) Show SMILES Cc1nc(sc1C(=O)NCc1ccccc1)-n1ccccc1=O Show InChI InChI=1S/C17H15N3O2S/c1-12-15(16(22)18-11-13-7-3-2-4-8-13)23-17(19-12)20-10-6-5-9-14(20)21/h2-10H,11H2,1H3,(H,18,22)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	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))	BDBM50445723 (CHEMBL3104398) Show SMILES Cc1nc(sc1C(=O)NCc1ccccc1)-n1ccccc1=O Show InChI InChI=1S/C17H15N3O2S/c1-12-15(16(22)18-11-13-7-3-2-4-8-13)23-17(19-12)20-10-6-5-9-14(20)21/h2-10H,11H2,1H3,(H,18,22)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.54E+3	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