Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 355.4 BDBM50445724

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
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50445724 (CHEMBL3104391) Show SMILES COc1ccn(-c2nc(C)c(s2)C(=O)NCc2ccccc2)c(=O)c1 Show InChI InChI=1S/C18H17N3O3S/c1-12-16(17(23)19-11-13-6-4-3-5-7-13)25-18(20-12)21-9-8-14(24-2)10-15(21)22/h3-10H,11H2,1-2H3,(H,19,23)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	61	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
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50445724 (CHEMBL3104391) Show SMILES COc1ccn(-c2nc(C)c(s2)C(=O)NCc2ccccc2)c(=O)c1 Show InChI InChI=1S/C18H17N3O3S/c1-12-16(17(23)19-11-13-6-4-3-5-7-13)25-18(20-12)21-9-8-14(24-2)10-15(21)22/h3-10H,11H2,1-2H3,(H,19,23)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	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