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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 Monomerid = 50201673   
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))
BDBM50201673
PNG
(2-methyl-6-(2-(pyridin-4-yl)ethynyl)pyridine | CHE...)
Show SMILES Cc1cccc(n1)C#Cc1ccncc1
Show InChI InChI=1S/C13H10N2/c1-11-3-2-4-13(15-11)6-5-12-7-9-14-10-8-12/h2-4,7-10H,1H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 26n/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGlu5 receptor


Bioorg Med Chem Lett 17: 1307-11 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.033
BindingDB Entry DOI: 10.7270/Q2V987R8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50201673
PNG
(2-methyl-6-(2-(pyridin-4-yl)ethynyl)pyridine | CHE...)
Show SMILES Cc1cccc(n1)C#Cc1ccncc1
Show InChI InChI=1S/C13H10N2/c1-11-3-2-4-13(15-11)6-5-12-7-9-14-10-8-12/h2-4,7-10H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 213n/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Antagonist activity at mGluR5 by FLIPR


Bioorg Med Chem Lett 17: 1307-11 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.033
BindingDB Entry DOI: 10.7270/Q2V987R8
More data for this
Ligand-Target Pair