Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 407.3 BDBM50354669

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))	BDBM50354669 (CHEMBL1834450) Show SMILES Fc1ccc(Br)c(OC2CCN(CC2)c2nc3ccccc3s2)c1 Show InChI InChI=1S/C18H16BrFN2OS/c19-14-6-5-12(20)11-16(14)23-13-7-9-22(10-8-13)18-21-15-3-1-2-4-17(15)24-18/h1-6,11,13H,7-10H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	477	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))	BDBM50354669 (CHEMBL1834450) Show SMILES Fc1ccc(Br)c(OC2CCN(CC2)c2nc3ccccc3s2)c1 Show InChI InChI=1S/C18H16BrFN2OS/c19-14-6-5-12(20)11-16(14)23-13-7-9-22(10-8-13)18-21-15-3-1-2-4-17(15)24-18/h1-6,11,13H,7-10H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.06E+4	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