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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 5' and Ligand = 'BDBM50154989'   
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))
BDBM50154989
PNG
(2-[2-(5-Fluoro-biphenyl-3-yl)-2H-tetrazol-5-yl]-py...)
Show SMILES Fc1cc(cc(c1)-n1nnc(n1)-c1ccccn1)-c1ccccc1
Show InChI InChI=1S/C18H12FN5/c19-15-10-14(13-6-2-1-3-7-13)11-16(12-15)24-22-18(21-23-24)17-8-4-5-9-20-17/h1-12H
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Article
PubMed
53n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Metabotropic glutamate receptor was determined by displacing [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from rat cortica...


Bioorg Med Chem Lett 14: 5477-80 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.011
BindingDB Entry DOI: 10.7270/Q29C6WXB
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50154989
PNG
(2-[2-(5-Fluoro-biphenyl-3-yl)-2H-tetrazol-5-yl]-py...)
Show SMILES Fc1cc(cc(c1)-n1nnc(n1)-c1ccccn1)-c1ccccc1
Show InChI InChI=1S/C18H12FN5/c19-15-10-14(13-6-2-1-3-7-13)11-16(12-15)24-22-18(21-23-24)17-8-4-5-9-20-17/h1-12H
PDB
MMDB

KEGG

UniProtKB/SwissProt

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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 247n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro antagonistic activity against Metabotropic glutamate receptor 5 in [Ca2+] flux assay


Bioorg Med Chem Lett 14: 5485-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.016
BindingDB Entry DOI: 10.7270/Q21V5DGP
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50154989
PNG
(2-[2-(5-Fluoro-biphenyl-3-yl)-2H-tetrazol-5-yl]-py...)
Show SMILES Fc1cc(cc(c1)-n1nnc(n1)-c1ccccn1)-c1ccccc1
Show InChI InChI=1S/C18H12FN5/c19-15-10-14(13-6-2-1-3-7-13)11-16(12-15)24-22-18(21-23-24)17-8-4-5-9-20-17/h1-12H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 247n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound against Metabotropic glutamate receptor 5 in [Ca2+] flux assay using glutamate (10 uM) as agonist


Bioorg Med Chem Lett 14: 5477-80 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.011
BindingDB Entry DOI: 10.7270/Q29C6WXB
More data for this
Ligand-Target Pair