Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 349.4 BDBM50329975

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))	BDBM50329975 (6-(methylsulfonyl)-2-(4-(pyridin-4-yl)phenyl)-1H-b...) Show SMILES CS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(cc1)-c1ccncc1 Show InChI InChI=1S/C19H15N3O2S/c1-25(23,24)16-6-7-17-18(12-16)22-19(21-17)15-4-2-13(3-5-15)14-8-10-20-11-9-14/h2-12H,1H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.47E+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 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))	BDBM50329975 (6-(methylsulfonyl)-2-(4-(pyridin-4-yl)phenyl)-1H-b...) Show SMILES CS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(cc1)-c1ccncc1 Show InChI InChI=1S/C19H15N3O2S/c1-25(23,24)16-6-7-17-18(12-16)22-19(21-17)15-4-2-13(3-5-15)14-8-10-20-11-9-14/h2-12H,1H3,(H,21,22)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.25E+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))	BDBM50329975 (6-(methylsulfonyl)-2-(4-(pyridin-4-yl)phenyl)-1H-b...) Show SMILES CS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(cc1)-c1ccncc1 Show InChI InChI=1S/C19H15N3O2S/c1-25(23,24)16-6-7-17-18(12-16)22-19(21-17)15-4-2-13(3-5-15)14-8-10-20-11-9-14/h2-12H,1H3,(H,21,22)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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