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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 = 'BDBM50170319'   
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))
BDBM50170319
PNG
(1-Pentyl-4-propyl-5-{4-[4-(1H-tetrazol-5-yl)-pheno...)
Show SMILES CCCCCn1ccc2c(CCC)c(OCCCCOc3ccc(cc3)-c3nnn[nH]3)ccc12
Show InChI InChI=1S/C27H35N5O2/c1-3-5-6-17-32-18-16-23-24(9-4-2)26(15-14-25(23)32)34-20-8-7-19-33-22-12-10-21(11-13-22)27-28-30-31-29-27/h10-16,18H,3-9,17,19-20H2,1-2H3,(H,28,29,30,31)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 598n/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