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Target
Choline kinase alpha
Ligand
BDBM50087658
Substrate
n/a
Meas. Tech.
ChEBML_49274
IC50
136700±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:
BDBM50087658
Synonyms:
1-{4-[4-(4-carboxy-1-pyridiniumylmethyl)phenethyl]benzyl}-4-pyridiniumcarboxylic acid dibromide | CHEMBL165570
Type:
Small organic molecule
Emp. Form.:
C28H26N2O4
Mol. Mass.:
454.5159
SMILES:
OC(=O)c1cc[n+](Cc2ccc(CCc3ccc(C[n+]4ccc(cc4)C(O)=O)cc3)cc2)cc1
Structure:
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