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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 = 50331974   
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))
BDBM50331974
PNG
((R)-1-(4-(4-chloro-2-fluorophenyl)piperidin-1-yl)-...)
Show SMILES C[C@@H](OCc1ccncc1)C(=O)N1CCC(CC1)c1ccc(Cl)cc1F
Show InChI InChI=1S/C20H22ClFN2O2/c1-14(26-13-15-4-8-23-9-5-15)20(25)24-10-6-16(7-11-24)18-3-2-17(21)12-19(18)22/h2-5,8-9,12,14,16H,6-7,10-11,13H2,1H3/t14-/m1/s1
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Similars

Article
PubMed
n/an/an/an/a>2.50E+4n/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as Ca2+ influx by FLIPR assay


Bioorg Med Chem Lett 20: 7381-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.036
BindingDB Entry DOI: 10.7270/Q27S7P13
More data for this
Ligand-Target Pair