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Literature summary for 2.7.1.32 extracted from

  • Zech, S.G.; Kohlmann, A.; Zhou, T.; Li, F.; Squillace, R.M.; Parillon, L.E.; Greenfield, M.T.; Miller, D.P.; Qi, J.; Thomas, R.M.; Wang, Y.; Xu, Y.; Miret, J.J.; Shakespeare, W.C.; Zhu, X.; Dalgarno, D.C.
    Novel small molecule inhibitors of choline kinase identified by fragment-based drug discovery (2016), J. Med. Chem., 59, 671-686.
    View publication on PubMed
Search for more literature for 2.7.1.32

Cloned(Commentary)

Cloned (Comment) Organism
-
 Homo sapiens

Crystallization (Commentary)

Crystallization (Comment) Organism
using 0.1 M sodium formate, 8-12% (w/v) PEG 3350 at 18°C Homo sapiens

Inhibitors

Inhibitors Comment Organism Structure
(4-methyl-1,4-diazepan-1-yl)(4'-((4-methyl-1,4-diazepan-1-yl)-methyl)-[1,1'-biphenyl]-4-yl)methanone
-
 Homo sapiens
1-((4'-methoxy-[1,1'-biphenyl]-4-yl)methyl)-4-methyl-1,4-diazepane
-
 Homo sapiens
1-([1,1'-biphenyl]-4-ylmethyl)-4-methyl-1,4-diazepane
-
 Homo sapiens
1-methyl-4-((4'-(4-methylpiperazin-1-yl)-[1,1'-biphenyl]-4-yl)-methyl)-1,4-diazepane
-
 Homo sapiens
1-methyl-4-((4'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl)methyl)-1,4-diazepane
-
 Homo sapiens
1-methyl-4-(naphthalen-2-ylmethyl)-1,4-diazepane
-
 Homo sapiens
2'-fluoro-4,4'-bis((4-methyl-1,4-diazepan-1-yl)methyl)-[1,1'-biphenyl]-2-carbonitrile
-
 Homo sapiens
4,4'-((2,3-difluoro-[1,1'-biphenyl]-4,4'-diyl)bis(methylene))bis-(1-methyl-1,4-diazepane)
-
 Homo sapiens
4,4'-((2-fluoro-[1,1'-biphenyl]-4,4'-diyl)bis(methylene))bis(1-methyl-1,4-diazepane)
-
 Homo sapiens
4,4'-((3,5-difluoro-[1,1'-biphenyl]-4,4'-diyl)bis(methylene))bis-(1-methyl-1,4-diazepane)
-
 Homo sapiens
4,4'-((3-chloro-[1,1'-biphenyl]-4,4'-diyl)bis(methylene))bis(1-methyl-1,4-diazepane)
-
 Homo sapiens
4,4'-bis((4-methyl-1,4-diazepan-1-yl)methyl)-1,1'-biphenyl
-
 Homo sapiens
4,4'-bis((4-methyl-1,4-diazepan-1-yl)methyl)-[1,1'-biphenyl]-2-carbonitrile
-
 Homo sapiens
7-((4-methyl-1,4-diazepan-1-yl)methyl)quinolone
-
 Homo sapiens
hemicholinium-3
-
 Homo sapiens
methyl 4'-((4-methyl-1,4-diazepan-1-yl)methyl)-[1,1'-biphenyl]-4-carboxylate
-
 Homo sapiens
RSM-932A
-
 Homo sapiens
V-11-0711
-
 Homo sapiens
VX-11-023907
-
 Homo sapiens

Molecular Weight [Da]

Molecular Weight [Da] Molecular Weight Maximum [Da] Comment Organism
94000
-
 2 * 94000, SDS-PAGE Homo sapiens

Natural Substrates/ Products (Substrates)

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

Organism

Organism UniProt Comment Textmining
Homo sapiens P35790
-
-

Purification (Commentary)

Purification (Comment) Organism
-
 Homo sapiens

Source Tissue

Source Tissue Comment Organism Textmining
MCF-10A cell
-
 Homo sapiens
-
MCF-12A cell
-
 Homo sapiens
-
MDA-MB-415 cell
-
 Homo sapiens
-
MDA-MB-468 cell
-
 Homo sapiens
-

Substrates and Products (Substrate)

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

Subunits

Subunits Comment Organism
homodimer 2 * 94000, SDS-PAGE Homo sapiens

Synonyms

Synonyms Comment Organism
ChoKalpha
-
 Homo sapiens
choline kinase alpha
-
 Homo sapiens

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.000066
-
 at pH 7.0, temperature not specified in the publication Homo sapiens 4,4'-bis((4-methyl-1,4-diazepan-1-yl)methyl)-[1,1'-biphenyl]-2-carbonitrile
0.000085
-
 at pH 7.0, temperature not specified in the publication Homo sapiens 2'-fluoro-4,4'-bis((4-methyl-1,4-diazepan-1-yl)methyl)-[1,1'-biphenyl]-2-carbonitrile
0.000165
-
 at pH 7.0, temperature not specified in the publication Homo sapiens 4,4'-((2-fluoro-[1,1'-biphenyl]-4,4'-diyl)bis(methylene))bis(1-methyl-1,4-diazepane)
0.000233
-
 at pH 7.0, temperature not specified in the publication Homo sapiens 4,4'-((2,3-difluoro-[1,1'-biphenyl]-4,4'-diyl)bis(methylene))bis-(1-methyl-1,4-diazepane)
0.000251
-
 at pH 7.0, temperature not specified in the publication Homo sapiens (4-methyl-1,4-diazepan-1-yl)(4'-((4-methyl-1,4-diazepan-1-yl)-methyl)-[1,1'-biphenyl]-4-yl)methanone
0.000255
-
 at pH 7.0, temperature not specified in the publication Homo sapiens 4,4'-((3,5-difluoro-[1,1'-biphenyl]-4,4'-diyl)bis(methylene))bis-(1-methyl-1,4-diazepane)
0.000268
-
 at pH 7.0, temperature not specified in the publication Homo sapiens 4,4'-((3-chloro-[1,1'-biphenyl]-4,4'-diyl)bis(methylene))bis(1-methyl-1,4-diazepane)
0.000457
-
 at pH 7.0, temperature not specified in the publication Homo sapiens 4,4'-bis((4-methyl-1,4-diazepan-1-yl)methyl)-1,1'-biphenyl
0.0013
-
 at pH 7.0, temperature not specified in the publication Homo sapiens 1-methyl-4-((4'-(4-methylpiperazin-1-yl)-[1,1'-biphenyl]-4-yl)-methyl)-1,4-diazepane
0.00143
-
 at pH 7.0, temperature not specified in the publication Homo sapiens 1-((4'-methoxy-[1,1'-biphenyl]-4-yl)methyl)-4-methyl-1,4-diazepane
0.0015
-
 at pH 7.0, temperature not specified in the publication Homo sapiens 7-((4-methyl-1,4-diazepan-1-yl)methyl)quinolone
0.0015
-
 at pH 7.0, temperature not specified in the publication Homo sapiens 1-([1,1'-biphenyl]-4-ylmethyl)-4-methyl-1,4-diazepane
0.0026
-
 at pH 7.0, temperature not specified in the publication Homo sapiens 1-methyl-4-(naphthalen-2-ylmethyl)-1,4-diazepane
0.0026
-
 at pH 7.0, temperature not specified in the publication Homo sapiens 1-methyl-4-((4'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl)methyl)-1,4-diazepane
0.00495
-
 at pH 7.0, temperature not specified in the publication Homo sapiens methyl 4'-((4-methyl-1,4-diazepan-1-yl)methyl)-[1,1'-biphenyl]-4-carboxylate