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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 = 'BDBM50170322'   
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))
BDBM50170322
PNG
(1-(2,2-Dimethyl-propyl)-4-propyl-5-{4-[4-(1H-tetra...)
Show SMILES CCCc1c(OCCCCOc2ccc(cc2)-c2nnn[nH]2)ccc2n(CC(C)(C)C)cnc12
Show InChI InChI=1S/C26H34N6O2/c1-5-8-21-23(14-13-22-24(21)27-18-32(22)17-26(2,3)4)34-16-7-6-15-33-20-11-9-19(10-12-20)25-28-30-31-29-25/h9-14,18H,5-8,15-17H2,1-4H3,(H,28,29,30,31)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 6.37E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration for stimulation of [35S]-GTP-gammaS, binding to human metabotropic glutamate receptor 2 incubated at 30 degree C for 1 hr


Bioorg Med Chem Lett 15: 4068-72 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.017
BindingDB Entry DOI: 10.7270/Q2Q52P6K
More data for this
Ligand-Target Pair