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Target
Choline kinase alpha
Ligand
BDBM50154644
Substrate
n/a
Meas. Tech.
ChEMBL_304634 (CHEMBL828518)
IC50
2900±n/a nM
Citation
 Conejo-García, A; Báñez-Coronel, M; Sánchez-Martín, RM; Rodríguez-González, A; Ramos, A; Ramírez de Molina, A; Espinosa, A; Gallo, MA; Campos, JM; Lacal, JC Influence of the linker in bispyridium compounds on the inhibition of human choline kinase. J Med Chem 47:5433-40 (2004) [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:
BDBM50154644
Synonyms:
4N-(4-chlorophenyl)-4N-methyl-1-(4-{4-[4-chloro(methyl)anilino]-1-pyridiniumylmethyl}benzyl)-4-pyridiniumamine; dibromide | CHEMBL189761
Type:
Small organic molecule
Emp. Form.:
C32H30Cl2N4
Mol. Mass.:
541.512
SMILES:
C[N+](c1ccc(Cl)cc1)=c1ccn(Cc2ccc(Cn3ccc(cc3)=[N+](C)c3ccc(Cl)cc3)cc2)cc1 |(-7.59,-.82,;-6.24,-.09,;-6.2,1.47,;-4.83,2.19,;-4.82,3.74,;-6.14,4.53,;-6.1,6.07,;-7.48,3.78,;-7.52,2.24,;-4.9,-.89,;-3.57,-.14,;-2.24,-.94,;-2.27,-2.46,;-1.5,-3.81,;.05,-3.81,;.82,-2.46,;2.36,-2.46,;3.14,-3.8,;4.68,-3.8,;5.43,-2.46,;6.77,-1.71,;6.77,-.16,;5.42,.6,;4.09,-.17,;4.09,-1.71,;5.42,2.14,;6.77,2.92,;4.09,2.89,;2.81,2.14,;1.47,2.89,;1.46,4.42,;.12,5.18,;2.78,5.18,;4.1,4.42,;2.36,-5.12,;.82,-5.12,;-3.62,-3.21,;-4.95,-2.42,)|
Structure:
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