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BDBM50154991 2-[3-Fluoro-5-(5-pyridin-2-yl-tetrazol-2-yl)-phenyl]-3-methyl-pyridine::CHEMBL184242

SMILES: Cc1cccnc1-c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1

InChI Key: InChIKey=HKMADWWVHXTYHL-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50154991   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50154991
PNG
(2-[3-Fluoro-5-(5-pyridin-2-yl-tetrazol-2-yl)-pheny...)
Show SMILES Cc1cccnc1-c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1
Show InChI InChI=1S/C18H13FN6/c1-12-5-4-8-21-17(12)13-9-14(19)11-15(10-13)25-23-18(22-24-25)16-6-2-3-7-20-16/h2-11H,1H3
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
24n/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))
BDBM50154991
PNG
(2-[3-Fluoro-5-(5-pyridin-2-yl-tetrazol-2-yl)-pheny...)
Show SMILES Cc1cccnc1-c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1
Show InChI InChI=1S/C18H13FN6/c1-12-5-4-8-21-17(12)13-9-14(19)11-15(10-13)25-23-18(22-24-25)16-6-2-3-7-20-16/h2-11H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 31n/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