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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 = 50273866   
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))
BDBM50273866
PNG
(CHEMBL461034 | N-(tert-Butyl)-4-[1-(2-fluorophenyl...)
Show SMILES CC(C)(C)NC(=O)N1CCC(=CC1)c1cn(nn1)-c1ccccc1F
Show InChI InChI=1S/C18H22FN5O/c1-18(2,3)20-17(25)23-10-8-13(9-11-23)15-12-24(22-21-15)16-7-5-4-6-14(16)19/h4-8,12H,9-11H2,1-3H3,(H,20,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 8.60E+3n/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