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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 = 'BDBM50187632'   
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))
BDBM50187632
PNG
(4-cyano-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide ...)
Show SMILES O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)c1ccc(cc1)C#N
Show InChI InChI=1S/C23H16N4O/c24-16-17-11-13-19(14-12-17)23(28)25-22-15-21(18-7-3-1-4-8-18)26-27(22)20-9-5-2-6-10-20/h1-15H,(H,25,28)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.56E+3n/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))
BDBM50187632
PNG
(4-cyano-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide ...)
Show SMILES O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)c1ccc(cc1)C#N
Show InChI InChI=1S/C23H16N4O/c24-16-17-11-13-19(14-12-17)23(28)25-22-15-21(18-7-3-1-4-8-18)26-27(22)20-9-5-2-6-10-20/h1-15H,(H,25,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 75n/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