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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 Ligand = 'BDBM50154990'   
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))
BDBM50154990
PNG
(3-[3-Fluoro-5-(5-pyridin-2-yl-tetrazol-2-yl)-pheny...)
Show SMILES Nc1ccncc1-c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1
Show InChI InChI=1S/C17H12FN7/c18-12-7-11(14-10-20-6-4-15(14)19)8-13(9-12)25-23-17(22-24-25)16-3-1-2-5-21-16/h1-10H,(H2,19,20)
PDB
MMDB

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PC cid
PC sid
UniChem

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Similars

Article
PubMed
20n/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


(Rattus norvegicus (Rat))
BDBM50154990
PNG
(3-[3-Fluoro-5-(5-pyridin-2-yl-tetrazol-2-yl)-pheny...)
Show SMILES Nc1ccncc1-c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1
Show InChI InChI=1S/C17H12FN7/c18-12-7-11(14-10-20-6-4-15(14)19)8-13(9-12)25-23-17(22-24-25)16-3-1-2-5-21-16/h1-10H,(H2,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 108n/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