Ki Summary

Reaction Details

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Target

Choline kinase alpha

Ligand

BDBM50579735

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2145375 (CHEMBL5029655)

IC50

307±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

BDBM50579735

n/a

Name

BDBM50579735

Synonyms:

CHEMBL5090955

Type

Small organic molecule

Emp. Form.

C19H22N6O3S

Mol. Mass.

414.481

SMILES

CS(=O)(=O)c1ccc(NC(=O)[C@H]2CC[C@H](CC2)n2cnc3c(N)ncnc23)cc1 |r,wU:14.17,11.10,(67.97,-27.27,;69.31,-26.51,;68.9,-25.02,;70.4,-25.41,;70.34,-27.66,;71.85,-27.35,;72.87,-28.5,;72.38,-29.96,;73.41,-31.11,;74.92,-30.8,;75.94,-31.95,;75.4,-29.33,;74.38,-28.18,;74.86,-26.72,;76.37,-26.42,;77.4,-27.55,;76.91,-29.02,;76.84,-24.95,;75.94,-23.7,;76.85,-22.46,;78.31,-22.94,;79.64,-22.16,;79.63,-20.62,;80.98,-22.92,;80.98,-24.48,;79.64,-25.25,;78.31,-24.48,;70.88,-30.28,;69.86,-29.14,)|

Structure