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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 5' and Ligand = 'BDBM50318383'   
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
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50318383
PNG
((E)-3-((6-methylpyridin-2-yl)ethynyl)cyclohex-2-en...)
Show SMILES Cc1cccc(n1)C#CC1=C\C(CCC1)=N\OCCOCCF |t:10|
Show InChI InChI=1S/C18H21FN2O2/c1-15-4-2-6-17(20-15)9-8-16-5-3-7-18(14-16)21-23-13-12-22-11-10-19/h2,4,6,14H,3,5,7,10-13H2,1H3/b21-18+
PDB
MMDB

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PC sid
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Similars

Article
PubMed
26.8n/an/an/an/an/an/an/an/a



ETH Zurich

Curated by ChEMBL


Assay Description
Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat brain P2 membrane after 45 mins by beta counting


J Med Chem 53: 4009-17 (2010)


Article DOI: 10.1021/jm901850k
BindingDB Entry DOI: 10.7270/Q2T72HMH
More data for this
Ligand-Target Pair