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Literature summary extracted from

  • Rubio-Ruiz, B.; Conejo-Garcia, A.; Rios-Marco, P.; Carrasco-Jimenez, M.P.; Segovia, J.; Marco, C.; Gallo, M.A.; Espinosa, A.; Entrena, A.
    Design, synthesis, theoretical calculations and biological evaluation of new non-symmetrical choline kinase inhibitors (2012), Eur. J. Med. Chem., 50, 154-162.
    View publication on PubMed

Inhibitors

EC Number Inhibitors Comment Organism Structure
2.7.1.32 1-(4-[4-[(6-amino-3H-purin-3-yl)methyl]phenethyl]benzyl)-4-pyrrolidinopyridinium bromide 0.1% inhibition at 0.01 mM, 24.8% inhibition at 0.05 mM Homo sapiens
2.7.1.32 1-(4-[4-[(6-amino-3H-purin-3-yl)methyl]phenyl]benzyl)-4-(dimethylamino)pyridinium bromide 62.3% inhibition at 0.01 mM, 71.4% inhibition at 0.05 mM Homo sapiens
2.7.1.32 1-(4-[4-[(6-amino-9H-purin-9-yl)methyl]phenethyl]benzyl)-4-(dimethylamino)pyridinium bromide 38.6% inhibition at 0.01 mM, 81% inhibition at 0.05 mM Homo sapiens
2.7.1.32 1-(4-[4-[(6-amino-9H-purin-9-yl)methyl]phenethyl]benzyl)-4-pyrrolidinopyridinium bromide 28.6% inhibition at 0.01 mM, 46.9% inhibition at 0.05 mM Homo sapiens
2.7.1.32 1-(4-[4-[(6-amino-9H-purin-9-yl)methyl]phenyl]benzyl)-4-(dimethylamino)pyridinium bromide 37.6% inhibition at 0.01 mM, 51% inhibition at 0.05 mM Homo sapiens
2.7.1.32 1-(4-[4-[(6-amino-9H-purin-9-yl)methyl]phenyl]benzyl)-4-pyrrolidinopyridinium bromide 50.2% inhibition at 0.01 mM, 72.8% inhibition at 0.05 mM Homo sapiens
2.7.1.32 1-[4-(4-[4-[(6-amino-3H-purin-3-yl)methyl]phenyl]butyl)benzyl]-4-(dimethylamino)pyridinium bromide 61.3% inhibition at 0.01 mM, 68.2% inhibition at 0.05 mM Homo sapiens
2.7.1.32 1-[4-(4-[4-[(6-amino-3H-purin-3-yl)methyl]phenyl]butyl)benzyl]-4-pyrrolidinopyridinium bromide 22.6% inhibition at 0.01 mM, 59.9% inhibition at 0.05 mM Homo sapiens
2.7.1.32 1-[4-(4-[4-[(6-amino-9H-purin-9-yl)methyl]phenyl]butyl)benzyl]-4-(dimethylamino)pyridinium bromide 66.7% inhibition at 0.01 mM, 89.7% inhibition at 0.05 mM Homo sapiens
2.7.1.32 1-[4-(4-[4-[(6-amino-9H-purin-9-yl)methyl]phenyl]butyl)benzyl]-4-pyrrolidinopyridinium bromide 36.9% inhibition at 0.01 mM, 41.9% inhibition at 0.05 mM Homo sapiens
2.7.1.32 1-[4-[(6-amino-3H-purin-3-yl)methyl]benzyl]-4-(dimethylamino)pyridinium bromide 25% inhibition at 0.01 mM, 50.2% inhibition at 0.05 mM Homo sapiens
2.7.1.32 1-[4-[(6-amino-9H-purin-9-yl)methyl]benzyl]-4-(dimethylamino)pyridinium bromide 46.7% inhibition at 0.01 mM, 54.1% inhibition at 0.05 mM Homo sapiens
2.7.1.32 1-[4-[(6-amino-9H-purin-9-yl)methyl]benzyl]-4-pyrrolidinopyridinium bromide 27% inhibition at 0.05 mM Homo sapiens
2.7.1.32 hemicholinium-3
-
 Homo sapiens

Organism

EC Number Organism UniProt Comment Textmining
2.7.1.32 Homo sapiens P35790 choline kinase alpha isoform
-

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 ChoK
-
 Homo sapiens

IC50 Value

EC Number IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
2.7.1.32 0.00621
-
 in 100 mM Tris (pH 8.5), 10 mM MgCl2, at 37°C Homo sapiens 1-(4-[4-[(6-amino-3H-purin-3-yl)methyl]phenyl]benzyl)-4-(dimethylamino)pyridinium bromide
2.7.1.32 0.0107
-
 in 100 mM Tris (pH 8.5), 10 mM MgCl2, at 37°C Homo sapiens 1-[4-(4-[4-[(6-amino-9H-purin-9-yl)methyl]phenyl]butyl)benzyl]-4-(dimethylamino)pyridinium bromide
2.7.1.32 0.0389
-
 in 100 mM Tris (pH 8.5), 10 mM MgCl2, at 37°C Homo sapiens 1-[4-(4-[4-[(6-amino-3H-purin-3-yl)methyl]phenyl]butyl)benzyl]-4-(dimethylamino)pyridinium bromide