Ki Summary

Reaction Details

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Target

Choline kinase alpha

Ligand

BDBM50579736

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2145375 (CHEMBL5029655)

IC50

289±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

BDBM50579736

n/a

Name

BDBM50579736

Synonyms:

CHEMBL5078645

Type

Small organic molecule

Emp. Form.

C19H22N6O3S

Mol. Mass.

414.481

SMILES

CS(=O)(=O)c1cccc(NC(=O)[C@H]2CC[C@H](CC2)n2cnc3c(N)ncnc23)c1 |r,wU:15.18,12.11,(2.36,-41.83,;3.39,-42.98,;3.78,-44.47,;2.3,-44.07,;4.9,-42.66,;5.38,-41.19,;6.89,-40.88,;7.92,-42.03,;7.43,-43.49,;8.45,-44.64,;9.96,-44.32,;10.99,-45.48,;10.45,-42.86,;9.42,-41.71,;9.9,-40.25,;11.41,-39.94,;12.44,-41.08,;11.96,-42.55,;11.89,-38.48,;10.98,-37.23,;11.89,-35.99,;13.35,-36.46,;14.68,-35.69,;14.68,-34.15,;16.02,-36.45,;16.03,-38,;14.69,-38.78,;13.35,-38,;5.93,-43.81,)|

Structure