Ki Summary

Reaction Details

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Target

Choline kinase alpha

Ligand

BDBM50579762

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2145375 (CHEMBL5029655)

IC50

151±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

BDBM50579762

n/a

Name

BDBM50579762

Synonyms:

CHEMBL5086986

Type

Small organic molecule

Emp. Form.

C17H18ClN7O

Mol. Mass.

371.824

SMILES

Nc1nc(Cl)nc2n(cnc12)[C@@H]1CC[C@@H](CC1)C(=O)Nc1ccccn1 |r,wU:11.12,14.19,(32.59,-36.33,;32.6,-37.87,;33.94,-38.64,;33.94,-40.19,;35.28,-40.96,;32.6,-40.96,;31.27,-40.19,;29.8,-40.66,;28.9,-39.42,;29.81,-38.17,;31.27,-38.65,;29.32,-42.13,;27.82,-42.44,;27.34,-43.89,;28.36,-45.05,;29.87,-44.73,;30.36,-43.26,;27.88,-46.51,;28.9,-47.66,;26.37,-46.82,;25.34,-45.67,;25.83,-44.21,;24.81,-43.06,;23.3,-43.38,;22.82,-44.85,;23.84,-45.99,)|

Structure