Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 363.3 BDBM50354673

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))	BDBM50354673 (CHEMBL1834454) Show SMILES FC(F)(F)c1ccccc1OC1CCN(CC1)c1ncnc2nc[nH]c12 Show InChI InChI=1S/C17H16F3N5O/c18-17(19,20)12-3-1-2-4-13(12)26-11-5-7-25(8-6-11)16-14-15(22-9-21-14)23-10-24-16/h1-4,9-11H,5-8H2,(H,21,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	10	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))	BDBM50354673 (CHEMBL1834454) Show SMILES FC(F)(F)c1ccccc1OC1CCN(CC1)c1ncnc2nc[nH]c12 Show InChI InChI=1S/C17H16F3N5O/c18-17(19,20)12-3-1-2-4-13(12)26-11-5-7-25(8-6-11)16-14-15(22-9-21-14)23-10-24-16/h1-4,9-11H,5-8H2,(H,21,22,23,24)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	48	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