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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glutamate receptor 4' and Ligand = 'BDBM50192223'   
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 4


(Homo sapiens (Human))
BDBM50192223
PNG
(3-(4-tert-butylphenyl)-4-cyano-5-(methylsulfinyl)t...)
Show SMILES CS(=O)c1sc(C(O)=O)c(c1C#N)-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C17H17NO3S2/c1-17(2,3)11-7-5-10(6-8-11)13-12(9-18)16(23(4)21)22-14(13)15(19)20/h5-8H,1-4H3,(H,19,20)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>3.00E+3n/an/an/an/a



Lilly S.A.

Curated by ChEMBL


Assay Description
Activity against human GLUR4 flop expressed in HEK293 cells assesed as glutamate-stimulated calcium influx by FLIPR assay


Bioorg Med Chem Lett 16: 5057-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.035
BindingDB Entry DOI: 10.7270/Q24749H7
More data for this
Ligand-Target Pair
Glutamate receptor 4


(Homo sapiens (Human))
BDBM50192223
PNG
(3-(4-tert-butylphenyl)-4-cyano-5-(methylsulfinyl)t...)
Show SMILES CS(=O)c1sc(C(O)=O)c(c1C#N)-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C17H17NO3S2/c1-17(2,3)11-7-5-10(6-8-11)13-12(9-18)16(23(4)21)22-14(13)15(19)20/h5-8H,1-4H3,(H,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 489n/an/an/an/a



Lilly S.A.

Curated by ChEMBL


Assay Description
Activity against human GLUR4 flip expressed in HEK293 cells assesed as glutamate-stimulated calcium influx by FLIPR assay


Bioorg Med Chem Lett 16: 5057-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.035
BindingDB Entry DOI: 10.7270/Q24749H7
More data for this
Ligand-Target Pair