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Target
Choline kinase alpha
Ligand
BDBM50154645
Substrate
n/a
Meas. Tech.
ChEMBL_304634 (CHEMBL828518)
IC50
84200±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:
BDBM50154645
Synonyms:
4-tetrahydro-1H-1-pyrrolyl-1-[3-(4-tetrahydro-1H-1-pyrrolyl-1-pyridiniumylmethyl)benzyl]pyridinium; dibromide | CHEMBL188935
Type:
Small organic molecule
Emp. Form.:
C26H32N4
Mol. Mass.:
400.558
SMILES:
C(c1cccc(Cn2ccc(cc2)=[N+]2CCCC2)c1)n1ccc(cc1)=[N+]1CCCC1 |(-2.65,-3.2,;-1.32,-3.97,;-1.32,-5.51,;.01,-6.28,;1.34,-5.51,;1.34,-3.97,;2.68,-3.2,;2.67,-1.66,;4,-.89,;4,.65,;2.64,1.42,;1.33,.65,;1.33,-.91,;2.64,2.96,;3.88,3.87,;3.41,5.31,;1.87,5.31,;1.38,3.85,;.01,-3.2,;-2.65,-1.66,;-1.31,-.89,;-1.32,.65,;-2.66,1.42,;-4.01,.65,;-4.01,-.89,;-2.66,2.96,;-3.91,3.87,;-3.45,5.32,;-1.91,5.34,;-1.42,3.87,)|
Structure:
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