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Target
Choline kinase alpha
Ligand
BDBM50166187
Substrate
n/a
Meas. Tech.
ChEMBL_305138 (CHEMBL832433)
IC50
39700±n/a nM
Citation
 Sánchez-Martín, R; Campos, JM; Conejo-García, A; Cruz-López, O; Báñez-Coronel, M; Rodríguez-González, A; Gallo, MA; Lacal, JC; Espinosa, A Symmetrical bis-quinolinium compounds: new human choline kinase inhibitors with antiproliferative activity against the HT-29 cell line. J Med Chem 48:3354-63 (2005) [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:
BDBM50166187
Synonyms:
Bisquinolinium derivative | CHEMBL192105
Type:
Small organic molecule
Emp. Form.:
C36H36N4
Mol. Mass.:
524.6967
SMILES:
C[N+](C)=c1ccn(Cc2ccc(cc2)-c2ccc(Cn3ccc(=[N+](C)C)c4ccccc34)cc2)c2ccccc12 |(-5.3,3.61,;-3.89,3,;-2.65,3.92,;-3.69,1.46,;-2.28,.86,;-2.09,-.68,;-3.33,-1.59,;-3.14,-3.13,;-1.73,-3.73,;-1,-5.09,;.54,-5.12,;1.35,-3.8,;.61,-2.46,;-.93,-2.43,;2.88,-3.83,;3.67,-2.52,;5.21,-2.54,;5.96,-3.9,;7.28,-3.1,;7.24,-1.56,;5.89,-.82,;5.86,.74,;7.17,1.53,;7.12,3.07,;8.45,3.86,;5.79,3.82,;8.51,.79,;9.83,1.58,;11.18,.86,;11.22,-.7,;9.9,-1.5,;8.55,-.75,;5.16,-5.21,;3.62,-5.19,;-4.74,-.99,;-5.97,-1.92,;-7.39,-1.31,;-7.56,.23,;-6.34,1.14,;-4.91,.55,)|
Structure:
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