Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 401.4 BDBM50445743

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)	BDBM50445743 (CHEMBL3104388) Show SMILES Cc1nc(sc1C(=O)NCc1ccccc1)-n1ccc(cc1=O)-c1ccccc1 Show InChI InChI=1S/C23H19N3O2S/c1-16-21(22(28)24-15-17-8-4-2-5-9-17)29-23(25-16)26-13-12-19(14-20(26)27)18-10-6-3-7-11-18/h2-14H,15H2,1H3,(H,24,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	141	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))	BDBM50445743 (CHEMBL3104388) Show SMILES Cc1nc(sc1C(=O)NCc1ccccc1)-n1ccc(cc1=O)-c1ccccc1 Show InChI InChI=1S/C23H19N3O2S/c1-16-21(22(28)24-15-17-8-4-2-5-9-17)29-23(25-16)26-13-12-19(14-20(26)27)18-10-6-3-7-11-18/h2-14H,15H2,1H3,(H,24,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.58E+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