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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 = 'BDBM50174210'   
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))
BDBM50174210
PNG
(3-Cyclopropylmethoxy-5-(5-pyridin-2-yl-tetrazol-2-...)
Show SMILES N#Cc1cc(OCC2CC2)cc(c1)-n1nnc(n1)-c1ccccn1
Show InChI InChI=1S/C17H14N6O/c18-10-13-7-14(9-15(8-13)24-11-12-4-5-12)23-21-17(20-22-23)16-3-1-2-6-19-16/h1-3,6-9,12H,4-5,11H2
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
271n/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))
BDBM50174210
PNG
(3-Cyclopropylmethoxy-5-(5-pyridin-2-yl-tetrazol-2-...)
Show SMILES N#Cc1cc(OCC2CC2)cc(c1)-n1nnc(n1)-c1ccccn1
Show InChI InChI=1S/C17H14N6O/c18-10-13-7-14(9-15(8-13)24-11-12-4-5-12)23-21-17(20-22-23)16-3-1-2-6-19-16/h1-3,6-9,12H,4-5,11H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 975n/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