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Target
Choline kinase alpha
Ligand
BDBM50154646
Substrate
n/a
Meas. Tech.
ChEMBL_304634 (CHEMBL828518)
IC50
400±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:
BDBM50154646
Synonyms:
4N-methyl-4N-phenyl-1-{3-[3-(4-methylanilino-1-pyridiniumylmethyl)phenyl]benzyl}-4-pyridiniumamine; bromide | CHEMBL364145
Type:
Small organic molecule
Emp. Form.:
C38H36N4
Mol. Mass.:
548.7181
SMILES:
C[N+](c1ccccc1)=c1ccn(Cc2cccc(c2)-c2cccc(Cn3ccc(cc3)=[N+](C)c3ccccc3)c2)cc1 |(-11.04,1.1,;-9.69,1.83,;-9.62,3.35,;-8.27,4.07,;-8.2,5.61,;-9.5,6.44,;-10.86,5.71,;-10.92,4.17,;-8.39,1.01,;-8.44,-.53,;-7.12,-1.35,;-5.76,-.64,;-4.22,-.61,;-3.44,-1.95,;-4.2,-3.28,;-3.44,-4.62,;-1.9,-4.62,;-1.13,-3.28,;-1.9,-1.95,;.41,-3.28,;1.18,-4.62,;2.71,-4.62,;3.48,-3.28,;2.71,-1.94,;3.48,-.6,;5,-.6,;5.78,-1.93,;7.32,-1.93,;8.09,-.58,;7.3,.76,;5.75,.74,;9.63,-.58,;10.41,-1.91,;10.39,.76,;11.91,.76,;12.65,2.07,;11.9,3.39,;10.36,3.37,;9.61,2.04,;1.17,-1.95,;-5.7,.89,;-7.02,1.73,)|
Structure:
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