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Literature summary extracted from

  • Rubio-Ruiz, B.; Rixados-Marco, P.; Carrasco-Jimenez, M.; Espinosa, A.; Hurtado-Guerrero, R.; Marco, C.; Conejo-Garcixada, A.; Entrena, A.
    Choline kinase inhibition and docking studies of a series of 6-(benzylthio)-9H-purin-9-yl-pyridinium derivatives (2017), Med. Chem. Res., 26, 2809-2815 .
No PubMed abstract available

Inhibitors

EC Number Inhibitors Comment Organism Structure
2.7.1.32 1-([4'-[(6-amino-9H-purin-9-yl)methyl][1,1'-biphenyl]-4-yl]methyl)-4-(dimethylamino)pyridin-1-ium bromide
-
 Homo sapiens
2.7.1.32 1-([4'-[(6-amino-9H-purin-9-yl)methyl][1,1'-biphenyl]-4-yl]methyl)-4-(pyrrolidin-1-yl)pyridin-1-ium bromide
-
 Homo sapiens
2.7.1.32 1-([4-[(6-amino-9H-purin-9-yl)methyl]phenyl]methyl)-4-(dimethylamino)pyridin-1-ium bromide
-
 Homo sapiens
2.7.1.32 1-([4-[(6-amino-9H-purin-9-yl)methyl]phenyl]methyl)-4-(pyrrolidin-1-yl)pyridin-1-ium bromide
-
 Homo sapiens
2.7.1.32 1-([4-[2-(4-[[6-(benzylsulfanyl)-9H-purin-9-yl]methyl]phenyl)ethyl]phenyl]methyl)-4-(dimethylamino)pyridin-1-ium bromide
-
 Homo sapiens
2.7.1.32 1-([4-[2-(4-[[6-(benzylsulfanyl)-9H-purin-9-yl]methyl]phenyl)ethyl]phenyl]methyl)-4-(pyrrolidin-1-yl)pyridin-1-ium bromide
-
 Homo sapiens
2.7.1.32 1-([4-[4-(4-[[6-(benzylsulfanyl)-9H-purin-9-yl]methyl]phenyl)butyl]phenyl]methyl)-4-(dimethylamino)pyridin-1-ium bromide
-
 Homo sapiens
2.7.1.32 1-([4-[4-(4-[[6-(benzylsulfanyl)-9H-purin-9-yl]methyl]phenyl)butyl]phenyl]methyl)-4-(pyrrolidin-1-yl)pyridin-1-ium bromide
-
 Homo sapiens
2.7.1.32 1-[(4'-[[6-(benzylsulfanyl)-9H-purin-9-yl]methyl][1,1'-biphenyl]-4-yl)methyl]-4-(dimethylamino)pyridin-1-ium bromide
-
 Homo sapiens
2.7.1.32 1-[(4'-[[6-(benzylsulfanyl)-9H-purin-9-yl]methyl][1,1'-biphenyl]-4-yl)methyl]-4-(pyrrolidin-1-yl)pyridin-1-ium bromide
-
 Homo sapiens
2.7.1.32 1-[(4-[[6-(benzylsulfanyl)-9H-purin-9-yl]methyl]phenyl)methyl]-4-(dimethylamino)pyridin-1-ium bromide
-
 Homo sapiens
2.7.1.32 1-[(4-[[6-(benzylsulfanyl)-9H-purin-9-yl]methyl]phenyl)methyl]-4-(pyrrolidin-1-yl)pyridin-1-ium bromide
-
 Homo sapiens
2.7.1.32 1-[[4-(2-[4-[(6-amino-9H-purin-9-yl)methyl]phenyl]ethyl)phenyl]methyl]-4-(dimethylamino)pyridin-1-ium bromide
-
 Homo sapiens
2.7.1.32 1-[[4-(2-[4-[(6-amino-9H-purin-9-yl)methyl]phenyl]ethyl)phenyl]methyl]-4-(pyrrolidin-1-yl)pyridin-1-ium bromide
-
 Homo sapiens
2.7.1.32 1-[[4-(4-[4-[(6-amino-9H-purin-9-yl)methyl]phenyl]butyl)phenyl]methyl]-4-(dimethylamino)pyridin-1-ium bromide
-
 Homo sapiens
2.7.1.32 1-[[4-(4-[4-[(6-amino-9H-purin-9-yl)methyl]phenyl]butyl)phenyl]methyl]-4-(pyrrolidin-1-yl)pyridin-1-ium bromide
-
 Homo sapiens
2.7.1.32 6-amino-3-([4-[4-(4-[[4-(dimethylamino)pyridin-1-ium-1-yl]methyl]phenyl)butyl]phenyl]methyl)-9H-purin-3-ium
-
 Homo sapiens
2.7.1.32 6-amino-3-([4-[4-(4-[[4-(pyrrolidin-1-yl)pyridin-1-ium-1-yl]methyl]phenyl)butyl]phenyl]methyl)-9H-purin-3-ium
-
 Homo sapiens
2.7.1.32 6-amino-3-[(4'-[[4-(dimethylamino)pyridin-1-ium-1-yl]methyl][1,1'-biphenyl]-4-yl)methyl]-9H-purin-3-ium
-
 Homo sapiens
2.7.1.32 6-amino-3-[(4-[[4-(dimethylamino)pyridin-1-ium-1-yl]methyl]phenyl)methyl]-9H-purin-3-ium
-
 Homo sapiens
2.7.1.32 additional information choline kinase inhibition and docking studies of a series of 6-(benzylthio)-9H-purin-9-yl-pyridinium derivatives using native ChoK from the cytosol of Hep-G2 cells and recombinantly expressed ChoKalpha, overview Homo sapiens

Localization

EC Number Localization Comment Organism GeneOntology No. Textmining
2.7.1.32 cytosol
-
 Homo sapiens 5829
-

Metals/Ions

EC Number Metals/Ions Comment Organism Structure
2.7.1.32 Mg2+ required Homo sapiens

Natural Substrates/ Products (Substrates)

EC Number Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
2.7.1.32 ATP + choline Homo sapiens
-
 ADP + phosphocholine
-
 ?

Organism

EC Number Organism UniProt Comment Textmining
2.7.1.32 Homo sapiens O54804
-
-

Source Tissue

EC Number Source Tissue Comment Organism Textmining
2.7.1.32 Hep-G2 cell
-
 Homo sapiens
-

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
2.7.1.32 ATP + choline
-
 Homo sapiens ADP + phosphocholine
-
 ?

Synonyms

EC Number Synonyms Comment Organism
2.7.1.32 ChoKalpha
-
 Homo sapiens
2.7.1.32 choline kinase alpha
-
 Homo sapiens

IC50 Value

EC Number IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
2.7.1.32 additional information
-
 IC50 values for inhibitors with HepG2 cell and the cytosolic fraction of HepG2 cells, overview Homo sapiens additional information
2.7.1.32 0.0004
-
 pH and temperature not specified in the publication, recombinant ChoKalpha Homo sapiens 1-[(4-[[6-(benzylsulfanyl)-9H-purin-9-yl]methyl]phenyl)methyl]-4-(dimethylamino)pyridin-1-ium bromide
2.7.1.32 0.0015
-
 pH and temperature not specified in the publication, recombinant ChoKalpha Homo sapiens 1-[(4'-[[6-(benzylsulfanyl)-9H-purin-9-yl]methyl][1,1'-biphenyl]-4-yl)methyl]-4-(dimethylamino)pyridin-1-ium bromide
2.7.1.32 0.00232
-
 pH and temperature not specified in the publication, recombinant ChoKalpha Homo sapiens 1-([4-[2-(4-[[6-(benzylsulfanyl)-9H-purin-9-yl]methyl]phenyl)ethyl]phenyl]methyl)-4-(dimethylamino)pyridin-1-ium bromide
2.7.1.32 0.00791
-
 pH and temperature not specified in the publication, recombinant ChoKalpha Homo sapiens 1-[(4-[[6-(benzylsulfanyl)-9H-purin-9-yl]methyl]phenyl)methyl]-4-(pyrrolidin-1-yl)pyridin-1-ium bromide
2.7.1.32 0.0107
-
 pH and temperature not specified in the publication, recombinant ChoKalpha Homo sapiens 1-[[4-(4-[4-[(6-amino-9H-purin-9-yl)methyl]phenyl]butyl)phenyl]methyl]-4-(dimethylamino)pyridin-1-ium bromide
2.7.1.32 0.01836
-
 pH and temperature not specified in the publication, recombinant ChoKalpha Homo sapiens 1-([4-[2-(4-[[6-(benzylsulfanyl)-9H-purin-9-yl]methyl]phenyl)ethyl]phenyl]methyl)-4-(pyrrolidin-1-yl)pyridin-1-ium bromide
2.7.1.32 0.01883
-
 pH and temperature not specified in the publication, recombinant ChoKalpha Homo sapiens 1-([4-[4-(4-[[6-(benzylsulfanyl)-9H-purin-9-yl]methyl]phenyl)butyl]phenyl]methyl)-4-(dimethylamino)pyridin-1-ium bromide
2.7.1.32 0.05
-
 above, pH and temperature not specified in the publication, recombinant ChoKalpha Homo sapiens 1-([4-[4-(4-[[6-(benzylsulfanyl)-9H-purin-9-yl]methyl]phenyl)butyl]phenyl]methyl)-4-(pyrrolidin-1-yl)pyridin-1-ium bromide
2.7.1.32 0.05
-
 above, pH and temperature not specified in the publication, recombinant ChoKalpha Homo sapiens 1-[(4'-[[6-(benzylsulfanyl)-9H-purin-9-yl]methyl][1,1'-biphenyl]-4-yl)methyl]-4-(pyrrolidin-1-yl)pyridin-1-ium bromide