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Target
Choline kinase alpha
Ligand
BDBM50145928
Substrate
n/a
Meas. Tech.
ChEMBL_1554161 (CHEMBL3769133)
IC50
3900±n/a nM
Citation
 Zech, SG; Kohlmann, A; Zhou, T; Li, F; Squillace, RM; Parillon, LE; Greenfield, MT; Miller, DP; Qi, J; Thomas, RM; Wang, Y; Xu, Y; Miret, JJ; Shakespeare, WC; Zhu, X; Dalgarno, DC Novel Small Molecule Inhibitors of Choline Kinase Identified by Fragment-Based Drug Discovery. J Med Chem 59:671-86 (2016) [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:
BDBM50145928
Synonyms:
CHEMBL3765077
Type:
Small organic molecule
Emp. Form.:
C16H21N3
Mol. Mass.:
255.358
SMILES:
CN1CCCN(Cc2ccc3ncccc3c2)CC1
Structure:
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