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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 2' and Ligand = 'BDBM50155694'   
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))
BDBM50155694
PNG
(1-{2-Hydroxy-3-methyl-4-[3-(pyridin-4-ylsulfanylme...)
Show SMILES CC(C)CC(=O)c1ccc(OCc2cccc(CSc3ccncc3)c2)c(C)c1O
Show InChI InChI=1S/C25H27NO3S/c1-17(2)13-23(27)22-7-8-24(18(3)25(22)28)29-15-19-5-4-6-20(14-19)16-30-21-9-11-26-12-10-21/h4-12,14,17,28H,13,15-16H2,1-3H3
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Similars

Article
PubMed
n/an/an/an/a 819n/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