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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 396.3
BDBM50354676

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


(Rattus norvegicus (Rat))
BDBM50354676
PNG
(CHEMBL1834262)
Show SMILES FC(F)(F)c1ccccc1OC1CCN(CC1)c1nc2nc[nH]c(=O)c2s1
Show InChI InChI=1S/C17H15F3N4O2S/c18-17(19,20)11-3-1-2-4-12(11)26-10-5-7-24(8-6-10)16-23-14-13(27-16)15(25)22-9-21-14/h1-4,9-10H,5-8H2,(H,21,22,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 7n/an/an/an/an/an/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))
BDBM50354676
PNG
(CHEMBL1834262)
Show SMILES FC(F)(F)c1ccccc1OC1CCN(CC1)c1nc2nc[nH]c(=O)c2s1
Show InChI InChI=1S/C17H15F3N4O2S/c18-17(19,20)11-3-1-2-4-12(11)26-10-5-7-24(8-6-10)16-23-14-13(27-16)15(25)22-9-21-14/h1-4,9-10H,5-8H2,(H,21,22,25)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 29n/an/an/an/an/an/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