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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glutamate receptor 3' and Ligand = 'BDBM50094024'   
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
Glutamate receptor 3


(Homo sapiens (Human))
BDBM50094024
PNG
((+/-) Propane-2-sulfonic acid [2-(4'-cyano-bipheny...)
Show SMILES CC(C)S(=O)(=O)NCC(C)c1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C19H22N2O2S/c1-14(2)24(22,23)21-13-15(3)17-8-10-19(11-9-17)18-6-4-16(12-20)5-7-18/h4-11,14-15,21H,13H2,1-3H3
PDB
MMDB

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PDB
Article
PubMed
n/an/an/an/a 1.66E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GluR3 expressed in HEK cells


J Med Chem 53: 7271-9 (2010)


Article DOI: 10.1021/jm1000419
BindingDB Entry DOI: 10.7270/Q2W0965T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)