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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 = 'BDBM50170316'   
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))
BDBM50170316
PNG
(1-(2,2-Dimethyl-propyl)-4-propyl-5-{4-[4-(1H-tetra...)
Show SMILES CCCc1c(OCc2ccc(Oc3ccc(cc3)-c3nnn[nH]3)cc2)ccc2n(CC(C)(C)C)ccc12
Show InChI InChI=1S/C30H33N5O2/c1-5-6-26-25-17-18-35(20-30(2,3)4)27(25)15-16-28(26)36-19-21-7-11-23(12-8-21)37-24-13-9-22(10-14-24)29-31-33-34-32-29/h7-18H,5-6,19-20H2,1-4H3,(H,31,32,33,34)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 879n/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