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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 = 'BDBM50154999'   
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))
BDBM50154999
PNG
(3-Fluoro-5-[5-(1H-imidazol-2-yl)-tetrazol-2-yl]-be...)
Show SMILES Fc1cc(cc(c1)-n1nnc(n1)-c1ncc[nH]1)C#N
Show InChI InChI=1S/C11H6FN7/c12-8-3-7(6-13)4-9(5-8)19-17-11(16-18-19)10-14-1-2-15-10/h1-5H,(H,14,15)
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Article
PubMed
9.30n/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: 5481-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.018
BindingDB Entry DOI: 10.7270/Q25M657V
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50154999
PNG
(3-Fluoro-5-[5-(1H-imidazol-2-yl)-tetrazol-2-yl]-be...)
Show SMILES Fc1cc(cc(c1)-n1nnc(n1)-c1ncc[nH]1)C#N
Show InChI InChI=1S/C11H6FN7/c12-8-3-7(6-13)4-9(5-8)19-17-11(16-18-19)10-14-1-2-15-10/h1-5H,(H,14,15)
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PC sid
UniChem

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Article
PubMed
9.30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from binding to metabotropic glutamate receptor 5 in rat cortical membranes


Bioorg Med Chem Lett 15: 5061-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.062
BindingDB Entry DOI: 10.7270/Q2GT5MQ0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50154999
PNG
(3-Fluoro-5-[5-(1H-imidazol-2-yl)-tetrazol-2-yl]-be...)
Show SMILES Fc1cc(cc(c1)-n1nnc(n1)-c1ncc[nH]1)C#N
Show InChI InChI=1S/C11H6FN7/c12-8-3-7(6-13)4-9(5-8)19-17-11(16-18-19)10-14-1-2-15-10/h1-5H,(H,14,15)
PDB
MMDB

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UniProtKB/SwissProt

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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 47n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro functional activity measured by changes in cytosolic [Ca2+] concentrations against rat metabotropic glutamate receptor 5


Bioorg Med Chem Lett 15: 5061-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.062
BindingDB Entry DOI: 10.7270/Q2GT5MQ0
More data for this
Ligand-Target Pair