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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 335.4
BDBM50305748

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))
BDBM50305748
PNG
(3-(1H-imidazol-1-yl)-6-(4-(m-tolyloxy)piperidin-1-...)
Show SMILES Cc1cccc(OC2CCN(CC2)c2ccc(nn2)-n2ccnc2)c1
Show InChI InChI=1S/C19H21N5O/c1-15-3-2-4-17(13-15)25-16-7-10-23(11-8-16)18-5-6-19(22-21-18)24-12-9-20-14-24/h2-6,9,12-14,16H,7-8,10-11H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 251n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in rat liver microsomes


Bioorg Med Chem Lett 20: 499-502 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.111
BindingDB Entry DOI: 10.7270/Q26H4HH3
More data for this
Ligand-Target Pair