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BDBM50170307 3-(2,2-Dimethyl-propyl)-7-propyl-6-{4-[4-(1H-tetrazol-5-yl)-phenoxy]-butoxy}-benzo[d]isoxazole::CHEMBL188977

SMILES: CCCc1c(OCCCCOc2ccc(cc2)-c2nnn[nH]2)ccc2c(CC(C)(C)C)noc12

InChI Key: InChIKey=WTYIFJAMRFPRCM-UHFFFAOYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50170307   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50170307
PNG
(3-(2,2-Dimethyl-propyl)-7-propyl-6-{4-[4-(1H-tetra...)
Show SMILES CCCc1c(OCCCCOc2ccc(cc2)-c2nnn[nH]2)ccc2c(CC(C)(C)C)noc12
Show InChI InChI=1S/C26H33N5O3/c1-5-8-21-23(14-13-20-22(17-26(2,3)4)29-34-24(20)21)33-16-7-6-15-32-19-11-9-18(10-12-19)25-27-30-31-28-25/h9-14H,5-8,15-17H2,1-4H3,(H,27,28,30,31)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 788n/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