Ki Summary

Reaction Details

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Target

Choline kinase alpha

Ligand

BDBM50579776

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2145375 (CHEMBL5029655)

IC50

97±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

BDBM50579776

n/a

Name

BDBM50579776

Synonyms:

CHEMBL5077317

Type

Small organic molecule

Emp. Form.

C19H16ClF2N7OS

Mol. Mass.

463.891

SMILES

Nc1nc(Cl)nc2n(cnc12)[C@@H]1CC[C@@H](CC1)C(=O)Nc1nc2c(F)cc(F)cc2s1 |r,wU:11.12,14.19,(14.86,-2.51,;14.86,-4.06,;16.2,-4.82,;16.21,-6.37,;17.54,-7.14,;14.87,-7.14,;13.53,-6.37,;12.07,-6.85,;11.16,-5.6,;12.07,-4.35,;13.53,-4.83,;11.59,-8.31,;10.08,-8.62,;9.6,-10.08,;10.63,-11.23,;12.14,-10.91,;12.62,-9.45,;10.14,-12.69,;11.17,-13.84,;8.63,-13.01,;7.61,-11.85,;6.07,-12,;5.45,-10.59,;4,-10.11,;2.85,-11.14,;3.68,-8.62,;4.83,-7.59,;4.52,-6.08,;6.29,-8.07,;6.6,-9.57,;7.93,-10.34,)|

Structure