Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 365.4 BDBM50445784

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)	BDBM50445784 (CHEMBL3104607) Show SMILES Cc1nc(NC(=O)Cc2ccccc2)sc1C(=O)NCc1ccccc1 Show InChI InChI=1S/C20H19N3O2S/c1-14-18(19(25)21-13-16-10-6-3-7-11-16)26-20(22-14)23-17(24)12-15-8-4-2-5-9-15/h2-11H,12-13H2,1H3,(H,21,25)(H,22,23,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	512	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: 520-5 (2014) Article DOI: 10.1016/j.bmcl.2013.12.036 BindingDB Entry DOI: 10.7270/Q2QJ7JRS
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50445784 (CHEMBL3104607) Show SMILES Cc1nc(NC(=O)Cc2ccccc2)sc1C(=O)NCc1ccccc1 Show InChI InChI=1S/C20H19N3O2S/c1-14-18(19(25)21-13-16-10-6-3-7-11-16)26-20(22-14)23-17(24)12-15-8-4-2-5-9-15/h2-11H,12-13H2,1H3,(H,21,25)(H,22,23,24)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.68E+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 [1-14C]stearic acid as substrate				Bioorg Med Chem Lett 24: 520-5 (2014) Article DOI: 10.1016/j.bmcl.2013.12.036 BindingDB Entry DOI: 10.7270/Q2QJ7JRS
					More data for this Ligand-Target Pair