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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 = 50153752   
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))
BDBM50153752
PNG
(1-(2-Hydroxy-3-methyl-4-{4-[4-(1H-tetrazol-5-yl)-p...)
Show SMILES CC(C)CC(=O)c1ccc(OCCCCOc2ccc(cc2)-c2nnn[nH]2)c(C)c1O
Show InChI InChI=1S/C23H28N4O4/c1-15(2)14-20(28)19-10-11-21(16(3)22(19)29)31-13-5-4-12-30-18-8-6-17(7-9-18)23-24-26-27-25-23/h6-11,15,29H,4-5,12-14H2,1-3H3,(H,24,25,26,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 229n/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
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50153752
PNG
(1-(2-Hydroxy-3-methyl-4-{4-[4-(1H-tetrazol-5-yl)-p...)
Show SMILES CC(C)CC(=O)c1ccc(OCCCCOc2ccc(cc2)-c2nnn[nH]2)c(C)c1O
Show InChI InChI=1S/C23H28N4O4/c1-15(2)14-20(28)19-10-11-21(16(3)22(19)29)31-13-5-4-12-30-18-8-6-17(7-9-18)23-24-26-27-25-23/h6-11,15,29H,4-5,12-14H2,1-3H3,(H,24,25,26,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 229n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration for binding to human metabotropic glutamate receptor 2 as determined by GTPgammaS assay


Bioorg Med Chem Lett 14: 5329-32 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.020
BindingDB Entry DOI: 10.7270/Q21Z43W0
More data for this
Ligand-Target Pair