Ki Summary

Reaction Details

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Target

Choline kinase alpha

Ligand

BDBM50579737

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2145375 (CHEMBL5029655)

IC50

354±n/a nM

Citation

Quartieri, F; Nesi, M; Avanzi, NR; Borghi, D; Casale, E; Corti, E; Cucchi, U; Donati, D; Fasolini, M; Felder, ER; Galvani, A; Giorgini, ML; Lomolino, A; Menichincheri, M; Orrenius, C; Perrera, C; Re Depaolini, S; Riccardi-Sirtori, F; Salsi, E; Isacchi, A; Gnocchi, P Identification of unprecedented ATP-competitive choline kinase inhibitors. Bioorg Med Chem Lett51:0 (2021) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Choline kinase alpha

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:

MKTKFCTGGEAEPSPLGLLLSCGSGSAAPAPGVGQQRDAASDLESKQLGGQQPPLALPPP
PPLPLPLPLPQPPPPQPPADEQPEPRTRRRAYLWCKEFLPGAWRGLREDEFHISVIRGGL
SNMLFQCSLPDTTATLGDEPRKVLLRLYGAILQMRSCNKEGSEQAQKENEFQGAEAMVLE
SVMFAILAERSLGPKLYGIFPQGRLEQFIPSRRLDTEELSLPDISAEIAEKMATFHGMKM
PFNKEPKWLFGTMEKYLKEVLRIKFTEESRIKKLHKLLSYNLPLELENLRSLLESTPSPV
VFCHNDCQEGNILLLEGRENSEKQKLMLIDFEYSSYNYRGFDIGNHFCEWMYDYSYEKYP
FFRANIRKYPTKKQQLHFISSYLPAFQNDFENLSTEEKSIIKEEMLLEVNRFALASHFLW
GLWSIVQAKISSIEFGYMDYAQARFDAYFHQKRKLGV

BDBM50579737

n/a

Name

BDBM50579737

Synonyms:

CHEMBL5071615

Type

Small organic molecule

Emp. Form.

C17H19N7O

Mol. Mass.

337.3791

SMILES

Nc1ncnc2n(cnc12)[C@@H]1CC[C@@H](CC1)C(=O)Nc1ccncc1 |r,wU:10.11,13.18,(29.63,-34.62,;29.63,-36.16,;30.97,-36.92,;30.97,-38.48,;29.64,-39.25,;28.3,-38.48,;26.83,-38.95,;25.93,-37.7,;26.84,-36.46,;28.3,-36.94,;26.36,-40.41,;24.85,-40.72,;24.37,-42.18,;25.39,-43.33,;26.9,-43.02,;27.39,-41.55,;24.91,-44.8,;25.94,-45.95,;23.4,-45.11,;22.38,-43.96,;22.86,-42.5,;21.84,-41.35,;20.33,-41.66,;19.85,-43.14,;20.87,-44.28,)|

Structure