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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 = 'BDBM50416267'   
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))
BDBM50416267
PNG
(CHEMBL1082636)
Show SMILES Clc1cccc(c1)-c1noc(n1)C1CSCN1C(=O)c1ccco1
Show InChI InChI=1S/C16H12ClN3O3S/c17-11-4-1-3-10(7-11)14-18-15(23-19-14)12-8-24-9-20(12)16(21)13-5-2-6-22-13/h1-7,12H,8-9H2
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
195n/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))
BDBM50416267
PNG
(CHEMBL1082636)
Show SMILES Clc1cccc(c1)-c1noc(n1)C1CSCN1C(=O)c1ccco1
Show InChI InChI=1S/C16H12ClN3O3S/c17-11-4-1-3-10(7-11)14-18-15(23-19-14)12-8-24-9-20(12)16(21)13-5-2-6-22-13/h1-7,12H,8-9H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.05E+3n/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