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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 = 'BDBM50170318'   
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))
BDBM50170318
PNG
(1-(2,2-Dimethyl-propyl)-2-methyl-4-propyl-5-{4-[4-...)
Show SMILES CCCc1c(OCCCCOc2ccc(cc2)-c2nnn[nH]2)ccc2n(CC(C)(C)C)c(C)cc12
Show InChI InChI=1S/C28H37N5O2/c1-6-9-23-24-18-20(2)33(19-28(3,4)5)25(24)14-15-26(23)35-17-8-7-16-34-22-12-10-21(11-13-22)27-29-31-32-30-27/h10-15,18H,6-9,16-17,19H2,1-5H3,(H,29,30,31,32)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 559n/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