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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 2' and Monomerid = 50155713   
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 2


(Homo sapiens (Human))
BDBM50155713
PNG
(1-{2-Hydroxy-3-methyl-4-[4-(pyridin-2-ylsulfanyl)-...)
Show SMILES CC(C)CC(=O)c1ccc(OCCCCSc2ccccn2)c(C)c1O
Show InChI InChI=1S/C21H27NO3S/c1-15(2)14-18(23)17-9-10-19(16(3)21(17)24)25-12-6-7-13-26-20-8-4-5-11-22-20/h4-5,8-11,15,24H,6-7,12-14H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
US Patent
n/an/an/an/a>1.00E+4n/an/a7.325



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent


Assay Description
Human Embryonic Kidney (HEK-293) cell lines co-expressing rat mGlu receptors 2, 3, 4, 6, 7 or 8 and G protein-coupled inwardly-rectifying potassium (...


US Patent US10099993 (2018)


Article DOI: 10.1021/jm0509142
BindingDB Entry DOI: 10.7270/Q2Z89FFP
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50155713
PNG
(1-{2-Hydroxy-3-methyl-4-[4-(pyridin-2-ylsulfanyl)-...)
Show SMILES CC(C)CC(=O)c1ccc(OCCCCSc2ccccn2)c(C)c1O
Show InChI InChI=1S/C21H27NO3S/c1-15(2)14-18(23)17-9-10-19(16(3)21(17)24)25-12-6-7-13-26-20-8-4-5-11-22-20/h4-5,8-11,15,24H,6-7,12-14H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 1.53E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human metabotropic glutamate receptor 2 determined by [35S]-GTP gama S binding assay


Bioorg Med Chem Lett 14: 5867-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.028
BindingDB Entry DOI: 10.7270/Q2XW4J94
More data for this
Ligand-Target Pair