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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 = 'BDBM50416265'   
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))
BDBM50416265
PNG
(CHEMBL1083340)
Show SMILES Cc1ccc(s1)C(=O)N1CSCC1c1nc(no1)-c1cccc(Cl)c1
Show InChI InChI=1S/C17H14ClN3O2S2/c1-10-5-6-14(25-10)17(22)21-9-24-8-13(21)16-19-15(20-23-16)11-3-2-4-12(18)7-11/h2-7,13H,8-9H2,1H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
83.2n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from mGluR5 in rat cerebrocortical membranes


Bioorg Med Chem Lett 20: 3737-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.075
BindingDB Entry DOI: 10.7270/Q2FX7BPQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50416265
PNG
(CHEMBL1083340)
Show SMILES Cc1ccc(s1)C(=O)N1CSCC1c1nc(no1)-c1cccc(Cl)c1
Show InChI InChI=1S/C17H14ClN3O2S2/c1-10-5-6-14(25-10)17(22)21-9-24-8-13(21)16-19-15(20-23-16)11-3-2-4-12(18)7-11/h2-7,13H,8-9H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 759n/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Allosteric modulation of mGluR5 in E17 rat neuronal cultures assessed as inhibition of (S)-3,5-dihydroxyphenylglycine-induced calcium level


Bioorg Med Chem Lett 20: 3737-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.075
BindingDB Entry DOI: 10.7270/Q2FX7BPQ
More data for this
Ligand-Target Pair