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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 Monomerid = 50202122   
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


(Homo sapiens (Human))
BDBM50202122
PNG
(CHEMBL246058 | N-(4-chloro-2-(3-oxo-3-phenylpropyl...)
Show SMILES Clc1ccc(NC(=O)c2ccccn2)c(CCC(=O)c2ccccc2)c1
Show InChI InChI=1S/C21H17ClN2O2/c22-17-10-11-18(24-21(26)19-8-4-5-13-23-19)16(14-17)9-12-20(25)15-6-2-1-3-7-15/h1-8,10-11,13-14H,9,12H2,(H,24,26)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 4.50E+3n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Activity at human mGluR5 expressed in CHO cells assessed as potentiation of glutamate response by FLIPR assay


Bioorg Med Chem Lett 17: 1386-91 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.081
BindingDB Entry DOI: 10.7270/Q22V2GXH
More data for this
Ligand-Target Pair