Ki Summary

Reaction Details

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Target

Choline kinase alpha

Ligand

BDBM50579771

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2145375 (CHEMBL5029655)

IC50

22±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

BDBM50579771

n/a

Name

BDBM50579771

Synonyms:

CHEMBL5077194

Type

Small organic molecule

Emp. Form.

C19H18ClN7O2S

Mol. Mass.

443.91

SMILES

Nc1nc(Cl)nc2n(cnc12)[C@@H]1CC[C@@H](CC1)C(=O)Nc1nc2ccc(O)cc2s1 |r,wU:11.12,14.19,(76.62,-21.9,;76.63,-23.44,;77.96,-24.2,;77.97,-25.75,;79.3,-26.52,;76.63,-26.53,;75.29,-25.76,;73.83,-26.23,;72.92,-24.98,;73.83,-23.74,;75.3,-24.22,;73.35,-27.69,;71.84,-28,;71.36,-29.46,;72.39,-30.61,;73.9,-30.3,;74.38,-28.83,;71.9,-32.08,;72.93,-33.23,;70.39,-32.39,;69.37,-31.24,;67.83,-31.38,;67.21,-29.97,;65.76,-29.49,;65.44,-28,;66.59,-26.97,;66.28,-25.46,;68.05,-27.45,;68.36,-28.95,;69.69,-29.72,)|

Structure