Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 338.3 BDBM50329977

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 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))	BDBM50329977 (2-(4-(furan-3-yl)phenyl)-6-(methylsulfonyl)-1H-ben...) Show SMILES CS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(cc1)-c1ccoc1 Show InChI InChI=1S/C18H14N2O3S/c1-24(21,22)15-6-7-16-17(10-15)20-18(19-16)13-4-2-12(3-5-13)14-8-9-23-11-14/h2-11H,1H3,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	395	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				Bioorg Med Chem Lett 20: 6366-9 (2010) Article DOI: 10.1016/j.bmcl.2010.09.094 BindingDB Entry DOI: 10.7270/Q20V8D1P
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50329977 (2-(4-(furan-3-yl)phenyl)-6-(methylsulfonyl)-1H-ben...) Show SMILES CS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(cc1)-c1ccoc1 Show InChI InChI=1S/C18H14N2O3S/c1-24(21,22)15-6-7-16-17(10-15)20-18(19-16)13-4-2-12(3-5-13)14-8-9-23-11-14/h2-11H,1H3,(H,19,20)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.71E+3	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 human SCD1				Bioorg Med Chem Lett 20: 6366-9 (2010) Article DOI: 10.1016/j.bmcl.2010.09.094 BindingDB Entry DOI: 10.7270/Q20V8D1P
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase 5 (Homo sapiens (Human))	BDBM50329977 (2-(4-(furan-3-yl)phenyl)-6-(methylsulfonyl)-1H-ben...) Show SMILES CS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(cc1)-c1ccoc1 Show InChI InChI=1S/C18H14N2O3S/c1-24(21,22)15-6-7-16-17(10-15)20-18(19-16)13-4-2-12(3-5-13)14-8-9-23-11-14/h2-11H,1H3,(H,19,20)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+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 human SCD5				Bioorg Med Chem Lett 20: 6366-9 (2010) Article DOI: 10.1016/j.bmcl.2010.09.094 BindingDB Entry DOI: 10.7270/Q20V8D1P
					More data for this Ligand-Target Pair