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Target
Choline kinase alpha
Ligand
BDBM50087655
Substrate
n/a
Meas. Tech.
ChEBML_49274
IC50
15000±n/a nM
Citation
 Campos, J; Núñez, MC; Rodríguez, V; Gallo, MA; Espinosa, A QSAR of 1,1'-(1,2-ethylenebisbenzyl)bis(4-substitutedpyridinium) dibromides as choline kinase inhibitors: a different approach for antiproliferative drug design. Bioorg Med Chem Lett 10:767-70 (2000) [PubMed]  Article 
Target
Name:
Choline kinase alpha
Synonyms:
CHK | CHKA | CHKA_HUMAN | CKI | Choline kinase alpha
Type:
PROTEIN
Mol. Mass.:
52248.44
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1290064
Residue:
457
Sequence:
MKTKFCTGGEAEPSPLGLLLSCGSGSAAPAPGVGQQRDAASDLESKQLGGQQPPLALPPPPPLPLPLPLPQPPPPQPPADEQPEPRTRRRAYLWCKEFLPGAWRGLREDEFHISVIRGGLSNMLFQCSLPDTTATLGDEPRKVLLRLYGAILQMRSCNKEGSEQAQKENEFQGAEAMVLESVMFAILAERSLGPKLYGIFPQGRLEQFIPSRRLDTEELSLPDISAEIAEKMATFHGMKMPFNKEPKWLFGTMEKYLKEVLRIKFTEESRIKKLHKLLSYNLPLELENLRSLLESTPSPVVFCHNDCQEGNILLLEGRENSEKQKLMLIDFEYSSYNYRGFDIGNHFCEWMYDYSYEKYPFFRANIRKYPTKKQQLHFISSYLPAFQNDFENLSTEEKSIIKEEMLLEVNRFALASHFLWGLWSIVQAKISSIEFGYMDYAQARFDAYFHQKRKLGV
  
Inhibitor
Name:
BDBM50087655
Synonyms:
1,2-di{4-[4-(1-azepanyl)-1-pyridiniumylmethyl]phenyl}ethane dibromide | CHEMBL164952
Type:
Small organic molecule
Emp. Form.:
C38H48N4
Mol. Mass.:
560.8134
SMILES:
C(Cc1ccc(Cn2ccc(cc2)=[N+]2CCCCCC2)cc1)c1ccc(Cn2ccc(cc2)=[N+]2CCCCCC2)cc1 |(8.88,-5.63,;10.21,-6.38,;11.54,-5.61,;12.87,-6.38,;14.2,-5.61,;14.2,-4.07,;15.53,-3.29,;16.86,-4.05,;16.88,-5.59,;18.22,-6.36,;19.55,-5.58,;19.53,-4.02,;18.19,-3.28,;20.88,-6.33,;20.78,-7.88,;21.91,-8.92,;23.44,-8.67,;24.19,-7.33,;23.61,-5.91,;22.14,-5.46,;12.86,-3.3,;11.53,-4.09,;7.55,-6.4,;6.21,-5.63,;4.88,-6.4,;4.88,-7.95,;3.53,-8.72,;2.2,-7.95,;2.22,-6.4,;.89,-5.63,;-.46,-6.4,;-.44,-7.95,;.89,-8.72,;-1.79,-5.63,;-1.67,-4.09,;-2.82,-3.04,;-4.33,-3.29,;-5.11,-4.62,;-4.54,-6.05,;-3.06,-6.5,;6.21,-8.72,;7.55,-7.95,)|
Structure:
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