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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 = 50273897   
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))
BDBM50273897
PNG
(CHEMBL457873 | tert-Butyl-4-[1-pyridin-4-yl-1 H-1,...)
Show SMILES CC(C)(C)OC(=O)N1CCC(=CC1)c1cn(nn1)-c1ccncc1
Show InChI InChI=1S/C17H21N5O2/c1-17(2,3)24-16(23)21-10-6-13(7-11-21)15-12-22(20-19-15)14-4-8-18-9-5-14/h4-6,8-9,12H,7,10-11H2,1-3H3
PDB
MMDB

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Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 expressed in CHO cells assessed as calcium flux by FLIPR assay


Bioorg Med Chem 16: 9817-29 (2008)


Article DOI: 10.1016/j.bmc.2008.09.060
BindingDB Entry DOI: 10.7270/Q2QN66K2
More data for this
Ligand-Target Pair