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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 = 'BDBM50334126'   
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))
BDBM50334126
PNG
((3-((4-methoxyphenyl)ethynyl)phenyl)(4-(pyridin-2-...)
Show SMILES COc1ccc(cc1)C#Cc1cccc(c1)C(=O)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C25H23N3O2/c1-30-23-12-10-20(11-13-23)8-9-21-5-4-6-22(19-21)25(29)28-17-15-27(16-18-28)24-7-2-3-14-26-24/h2-7,10-14,19H,15-18H2,1H3
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
2.36E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEP from rat mGluR5 expressed in HEK293 cells


Bioorg Med Chem Lett 21: 195-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.038
BindingDB Entry DOI: 10.7270/Q2GQ6Z02
More data for this
Ligand-Target Pair