Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 392.2 BDBM50354671

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))	BDBM50354671 (CHEMBL1834452) Show SMILES Fc1ccc(Br)c(OC2CCN(CC2)c2ncc3[nH]cnc3n2)c1 Show InChI InChI=1S/C16H15BrFN5O/c17-12-2-1-10(18)7-14(12)24-11-3-5-23(6-4-11)16-19-8-13-15(22-16)21-9-20-13/h1-2,7-9,11H,3-6H2,(H,19,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	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 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))	BDBM50354671 (CHEMBL1834452) Show SMILES Fc1ccc(Br)c(OC2CCN(CC2)c2ncc3[nH]cnc3n2)c1 Show InChI InChI=1S/C16H15BrFN5O/c17-12-2-1-10(18)7-14(12)24-11-3-5-23(6-4-11)16-19-8-13-15(22-16)21-9-20-13/h1-2,7-9,11H,3-6H2,(H,19,20,21,22)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	47	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