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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor' and Ligand = 'BDBM50345562'   
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


(Rattus norvegicus (Rat))
BDBM50345562
PNG
(3-(2-(6-methylpyridin-2-yl)ethynyl)-5-fluorobenzon...)
Show SMILES Cc1cccc(n1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C15H9FN2/c1-11-3-2-4-15(18-11)6-5-12-7-13(10-17)9-14(16)8-12/h2-4,7-9H,1H3
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
0.670n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 in Sprague-Dawley rat brain membrane after 60 mins by liquid scintillation counting


ACS Med Chem Lett 3: 544-549 (2012)


Article DOI: 10.1021/ml3000726
BindingDB Entry DOI: 10.7270/Q21C1Z4G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50345562
PNG
(3-(2-(6-methylpyridin-2-yl)ethynyl)-5-fluorobenzon...)
Show SMILES Cc1cccc(n1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C15H9FN2/c1-11-3-2-4-15(18-11)6-5-12-7-13(10-17)9-14(16)8-12/h2-4,7-9H,1H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
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PC sid
UniChem

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Article
PubMed
n/an/a 1.22n/an/an/an/an/an/a



Institute for Neurodegenerative Disorders

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in human HEK-293 cells assessed as inhibition of glutamate-induced intracellular calcium mobilization


Bioorg Med Chem Lett 21: 3243-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.047
BindingDB Entry DOI: 10.7270/Q290244M
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50345562
PNG
(3-(2-(6-methylpyridin-2-yl)ethynyl)-5-fluorobenzon...)
Show SMILES Cc1cccc(n1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C15H9FN2/c1-11-3-2-4-15(18-11)6-5-12-7-13(10-17)9-14(16)8-12/h2-4,7-9H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 2.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inverse agonist activity at rat mGluR5 expressed in HEK293A cells coexpressing Gqalpha assessed as inhibition of quisqualic-induced D-myo-inositol 1 ...


ACS Med Chem Lett 3: 544-549 (2012)


Article DOI: 10.1021/ml3000726
BindingDB Entry DOI: 10.7270/Q21C1Z4G
More data for this
Ligand-Target Pair