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Target
Choline kinase alpha
Ligand
BDBM50356566
Substrate
n/a
Meas. Tech.
ChEMBL_776093 (CHEMBL1912789)
IC50
4400±n/a nM
Citation
 Martín-Cantalejo, Y; Sáez, B; Monterde, MI; Murillo, MT; Braña, MF Synthesis and biological activity of new bispyridinium salts of 4,4'-bispyridyl-5,5'-perfluoroalkyl-2,2'-bisoxazoles. Eur J Med Chem 46:5662-7 (2011) [PubMed]  Article 
Target
Name:
Choline kinase alpha
Synonyms:
CHK | CHKA | CHKA_HUMAN | CKI | Choline kinase alpha
Type:
PROTEIN
Mol. Mass.:
52248.44
Organism:
Human
Description:
ChEMBL_1290064
Residue:
457
Sequence:
MKTKFCTGGEAEPSPLGLLLSCGSGSAAPAPGVGQQRDAASDLESKQLGGQQPPLALPPPPPLPLPLPLPQPPPPQPPADEQPEPRTRRRAYLWCKEFLPGAWRGLREDEFHISVIRGGLSNMLFQCSLPDTTATLGDEPRKVLLRLYGAILQMRSCNKEGSEQAQKENEFQGAEAMVLESVMFAILAERSLGPKLYGIFPQGRLEQFIPSRRLDTEELSLPDISAEIAEKMATFHGMKMPFNKEPKWLFGTMEKYLKEVLRIKFTEESRIKKLHKLLSYNLPLELENLRSLLESTPSPVVFCHNDCQEGNILLLEGRENSEKQKLMLIDFEYSSYNYRGFDIGNHFCEWMYDYSYEKYPFFRANIRKYPTKKQQLHFISSYLPAFQNDFENLSTEEKSIIKEEMLLEVNRFALASHFLWGLWSIVQAKISSIEFGYMDYAQARFDAYFHQKRKLGV
  
Inhibitor
Name:
BDBM50356566
Synonyms:
CHEMBL1909966 | CHEMBL1909968
Type:
Small organic molecule
Emp. Form.:
C39H26F16N4O4
Mol. Mass.:
918.6215
SMILES:
OCC[n+]1ccc(cc1)-c1nc(oc1C(F)(F)C(F)(F)F)-c1ccc(cc1)C(c1ccc(cc1)-c1nc(c(o1)C(F)(F)C(F)(F)F)-c1cc[n+](CCO)cc1)(C(F)(F)F)C(F)(F)F
Structure:
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