Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 305.3 BDBM50445727

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)	BDBM50445727 (CHEMBL3104413) Show SMILES Cc1nc(sc1C(=O)NCC1CC1)-n1ccc(O)cc1=O Show InChI InChI=1S/C14H15N3O3S/c1-8-12(13(20)15-7-9-2-3-9)21-14(16-8)17-5-4-10(18)6-11(17)19/h4-6,9,18H,2-3,7H2,1H3,(H,15,20)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	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))	BDBM50445727 (CHEMBL3104413) Show SMILES Cc1nc(sc1C(=O)NCC1CC1)-n1ccc(O)cc1=O Show InChI InChI=1S/C14H15N3O3S/c1-8-12(13(20)15-7-9-2-3-9)21-14(16-8)17-5-4-10(18)6-11(17)19/h4-6,9,18H,2-3,7H2,1H3,(H,15,20)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.69E+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