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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 321.3
BDBM50305746

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))
BDBM50305746
PNG
(3-(1H-imidazol-1-yl)-6-(4-phenoxypiperidin-1-yl)py...)
Show SMILES C1CN(CCC1Oc1ccccc1)c1ccc(nn1)-n1ccnc1
Show InChI InChI=1S/C18H19N5O/c1-2-4-15(5-3-1)24-16-8-11-22(12-9-16)17-6-7-18(21-20-17)23-13-10-19-14-23/h1-7,10,13-14,16H,8-9,11-12H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.89E+3n/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