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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 5' and Ligand = 'BDBM50187637'   
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))
BDBM50187637
PNG
(CHEMBL382766 | N-(1-phenyl-3-(2-chlorophenyl)-1H-p...)
Show SMILES Clc1ccccc1-c1cc(NC(=O)c2ccccc2)n(n1)-c1ccccc1
Show InChI InChI=1S/C22H16ClN3O/c23-19-14-8-7-13-18(19)20-15-21(24-22(27)16-9-3-1-4-10-16)26(25-20)17-11-5-2-6-12-17/h1-15H,(H,24,27)
PDB
MMDB

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KEGG

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


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


J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50187637
PNG
(CHEMBL382766 | N-(1-phenyl-3-(2-chlorophenyl)-1H-p...)
Show SMILES Clc1ccccc1-c1cc(NC(=O)c2ccccc2)n(n1)-c1ccccc1
Show InChI InChI=1S/C22H16ClN3O/c23-19-14-8-7-13-18(19)20-15-21(24-22(27)16-9-3-1-4-10-16)26(25-20)17-11-5-2-6-12-17/h1-15H,(H,24,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.29E+3n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Activity at mGluR5 assessed as potentiation of glutamate-induced calcium flux in rat astrocytes


J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair