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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 390.4
BDBM50429992

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))
BDBM50429992
PNG
(CHEMBL2335020)
Show SMILES O=C(c1ccccc1)c1ccc2nc([nH]c2c1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H18N2O2/c29-25(18-7-3-1-4-8-18)20-13-16-23-24(17-20)28-26(27-23)19-11-14-22(15-12-19)30-21-9-5-2-6-10-21/h1-17H,(H,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.58E+4n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in Wistar rat liver microsomes using [14C] stearic acid as substrate incubated for 10 mins prior to substrate addition measured af...


Bioorg Med Chem Lett 23: 1817-22 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.030
BindingDB Entry DOI: 10.7270/Q2251KJJ
More data for this
Ligand-Target Pair