BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 483.8
BDBM50424810

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

Found 2 hits in this display   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50424810
PNG
(CHEMBL2315123)
Show SMILES FC(F)(F)c1nc(Cl)ncc1C(=O)N1CCN(CC1)c1ccc(nn1)C(=O)NCCC1CC1
Show InChI InChI=1S/C20H21ClF3N7O2/c21-19-26-11-13(16(27-19)20(22,23)24)18(33)31-9-7-30(8-10-31)15-4-3-14(28-29-15)17(32)25-6-5-12-1-2-12/h3-4,11-12H,1-2,5-10H2,(H,25,32)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 321n/an/an/an/an/an/a



Xenon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in ICR mouse liver microsome using [9,10 3H]- stearoyl-Coenzyme A substrate assessed as decreased production of tritiated water af...


J Med Chem 56: 568-83 (2013)


Article DOI: 10.1021/jm301661h
BindingDB Entry DOI: 10.7270/Q25Q4XDG
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))
BDBM50424810
PNG
(CHEMBL2315123)
Show SMILES FC(F)(F)c1nc(Cl)ncc1C(=O)N1CCN(CC1)c1ccc(nn1)C(=O)NCCC1CC1
Show InChI InChI=1S/C20H21ClF3N7O2/c21-19-26-11-13(16(27-19)20(22,23)24)18(33)31-9-7-30(8-10-31)15-4-3-14(28-29-15)17(32)25-6-5-12-1-2-12/h3-4,11-12H,1-2,5-10H2,(H,25,32)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.87E+3n/an/an/an/an/an/a



Xenon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in human HepG2 cells using [14C]-stearate substrate assessed as decreased production of [14C]-oleic acid after 24 hrs


J Med Chem 56: 568-83 (2013)


Article DOI: 10.1021/jm301661h
BindingDB Entry DOI: 10.7270/Q25Q4XDG
More data for this
Ligand-Target Pair