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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 Monomerid = 50312096   
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


(Homo sapiens (Human))
BDBM50312096
PNG
(CHEMBL1080481 | N-(3-(3-chlorobenzamido)phenyl)-2-...)
Show SMILES COc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1
Show InChI InChI=1S/C21H17ClN2O3/c1-27-19-11-3-2-10-18(19)21(26)24-17-9-5-8-16(13-17)23-20(25)14-6-4-7-15(22)12-14/h2-13H,1H3,(H,23,25)(H,24,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
301n/an/an/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]3-methoxy-5-(2-pyridinylethynyl) pyridine from mGluR5


Bioorg Med Chem Lett 19: 6502-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.059
BindingDB Entry DOI: 10.7270/Q2JD4WZJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50312096
PNG
(CHEMBL1080481 | N-(3-(3-chlorobenzamido)phenyl)-2-...)
Show SMILES COc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1
Show InChI InChI=1S/C21H17ClN2O3/c1-27-19-11-3-2-10-18(19)21(26)24-17-9-5-8-16(13-17)23-20(25)14-6-4-7-15(22)12-14/h2-13H,1H3,(H,23,25)(H,24,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at mGluR5


Bioorg Med Chem Lett 19: 6502-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.059
BindingDB Entry DOI: 10.7270/Q2JD4WZJ
More data for this
Ligand-Target Pair