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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 365.4
BDBM50329993

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

Found 1 hit 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))
BDBM50329993
PNG
(2-(biphenyl-4-yl)-6-(methylsulfonyl)benzo[d]thiazo...)
Show SMILES CS(=O)(=O)c1ccc2nc(sc2c1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H15NO2S2/c1-25(22,23)17-11-12-18-19(13-17)24-20(21-18)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-13H,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/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