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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 = 50201669   
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))
BDBM50201669
PNG
(2-(2-(4-chlorophenyl)ethynyl)-6-methylpyridine | C...)
Show SMILES Cc1cccc(n1)C#Cc1ccc(Cl)cc1
Show InChI InChI=1S/C14H10ClN/c1-11-3-2-4-14(16-11)10-7-12-5-8-13(15)9-6-12/h2-6,8-9H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 286n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

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))
BDBM50201669
PNG
(2-(2-(4-chlorophenyl)ethynyl)-6-methylpyridine | C...)
Show SMILES Cc1cccc(n1)C#Cc1ccc(Cl)cc1
Show InChI InChI=1S/C14H10ClN/c1-11-3-2-4-14(16-11)10-7-12-5-8-13(15)9-6-12/h2-6,8-9H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.02E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

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