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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 5' and Monomerid = 50171074   
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 5


(Homo sapiens (Human))
BDBM50171074
PNG
((3-Ethoxy-5-isothiazol-3-yl-pyridin-2-yl)-(6-methy...)
Show SMILES CCOc1cc(cnc1Nc1cccc(C)n1)-c1ccsn1
Show InChI InChI=1S/C16H16N4OS/c1-3-21-14-9-12(13-7-8-22-20-13)10-17-16(14)19-15-6-4-5-11(2)18-15/h4-10H,3H2,1-2H3,(H,17,18,19)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 243n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against calcium flux in Ltk cells expressing human recombinant metabotropic glutamate receptor 5 using fluorescence detection


Bioorg Med Chem Lett 15: 4350-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.059
BindingDB Entry DOI: 10.7270/Q2QZ29H0
More data for this
Ligand-Target Pair