Ki Summary

Reaction Details

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Target

Choline kinase alpha

Ligand

BDBM50579770

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2145375 (CHEMBL5029655)

IC50

29±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

BDBM50579770

n/a

Name

BDBM50579770

Synonyms:

CHEMBL5090132

Type

Small organic molecule

Emp. Form.

C20H20ClN7O2S

Mol. Mass.

457.936

SMILES

COc1cccc2sc(NC(=O)[C@H]3CC[C@H](CC3)n3cnc4c(N)nc(Cl)nc34)nc12 |r,wU:15.18,12.11,(43.36,-30.19,;44.82,-30.67,;45.97,-29.64,;45.66,-28.15,;46.8,-27.12,;48.26,-27.6,;48.57,-29.1,;49.9,-29.87,;49.58,-31.39,;50.61,-32.54,;52.12,-32.22,;53.14,-33.37,;52.6,-30.76,;51.58,-29.61,;52.05,-28.15,;53.56,-27.84,;54.6,-28.98,;54.11,-30.45,;54.04,-26.38,;53.14,-25.13,;54.04,-23.88,;55.51,-24.36,;56.84,-23.59,;56.83,-22.04,;58.17,-24.35,;58.18,-25.9,;59.52,-26.67,;56.84,-26.67,;55.51,-25.9,;48.04,-31.53,;47.42,-30.12,)|

Structure