Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 379.3 BDBM50354679

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 (Rattus norvegicus (Rat))	BDBM50354679 (CHEMBL1834445) Show SMILES FC(F)(F)c1ccccc1OC1CCN(CC1)c1nc2ncccc2s1 Show InChI InChI=1S/C18H16F3N3OS/c19-18(20,21)13-4-1-2-5-14(13)25-12-7-10-24(11-8-12)17-23-16-15(26-17)6-3-9-22-16/h1-6,9,12H,7-8,10-11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of rat SCD1 in rat liver microsome				Bioorg Med Chem Lett 21: 5692-6 (2011) Article DOI: 10.1016/j.bmcl.2011.08.037 BindingDB Entry DOI: 10.7270/Q2W959K1
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50354679 (CHEMBL1834445) Show SMILES FC(F)(F)c1ccccc1OC1CCN(CC1)c1nc2ncccc2s1 Show InChI InChI=1S/C18H16F3N3OS/c19-18(20,21)13-4-1-2-5-14(13)25-12-7-10-24(11-8-12)17-23-16-15(26-17)6-3-9-22-16/h1-6,9,12H,7-8,10-11H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	755	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of SCD1 in human HepG2 cells				Bioorg Med Chem Lett 21: 5692-6 (2011) Article DOI: 10.1016/j.bmcl.2011.08.037 BindingDB Entry DOI: 10.7270/Q2W959K1
					More data for this Ligand-Target Pair