Ki Summary

Reaction Details

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Target

Choline kinase alpha

Ligand

BDBM50579768

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2145375 (CHEMBL5029655)

IC50

146±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

BDBM50579768

n/a

Name

BDBM50579768

Synonyms:

CHEMBL5094938

Type

Small organic molecule

Emp. Form.

C21H20ClN7OS

Mol. Mass.

453.948

SMILES

Nc1nc(Cl)nc2n(cnc12)[C@@H]1CC[C@@H](CC1)C(=O)Nc1nc(cs1)-c1ccccc1 |r,wU:11.12,14.19,(14.53,-21,;14.54,-22.54,;15.87,-23.31,;15.88,-24.86,;17.21,-25.63,;14.54,-25.63,;13.2,-24.86,;11.74,-25.33,;10.84,-24.09,;11.74,-22.84,;13.21,-23.32,;11.26,-26.8,;9.75,-27.11,;9.27,-28.56,;10.3,-29.72,;11.81,-29.4,;12.3,-27.93,;9.81,-31.18,;10.84,-32.33,;8.31,-31.49,;7.28,-30.34,;5.74,-30.49,;5.12,-29.08,;6.27,-28.06,;7.6,-28.83,;3.62,-28.75,;3.15,-27.28,;1.65,-26.95,;.61,-28.09,;1.08,-29.57,;2.58,-29.89,)|

Structure