Reaction Details | |||
---|---|---|---|
Report a problem with these data | |||
Target | Choline kinase alpha | ||
Ligand | BDBM50579729 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_2145375 (CHEMBL5029655) | ||
IC50 | 236±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: |
| ||
BDBM50579729 | |||
n/a | |||
Name | BDBM50579729 | ||
Synonyms: | CHEMBL5092659 | ||
Type | Small organic molecule | ||
Emp. Form. | C19H19F3N6O3S | ||
Mol. Mass. | 468.453 | ||
SMILES | Nc1ncnc2n(cnc12)[C@@H]1CC[C@@H](CC1)C(=O)Nc1cccc(c1)S(=O)(=O)C(F)(F)F |r,wU:10.11,13.18,(37.09,-3.67,;37.1,-5.21,;38.44,-5.97,;38.44,-7.52,;37.1,-8.29,;35.77,-7.52,;34.3,-8,;33.4,-6.75,;34.31,-5.51,;35.77,-5.98,;33.83,-9.46,;32.32,-9.77,;31.84,-11.23,;32.86,-12.38,;34.37,-12.07,;34.86,-10.6,;32.38,-13.84,;33.4,-14.99,;30.87,-14.16,;29.85,-13.01,;30.33,-11.55,;29.31,-10.4,;27.8,-10.71,;27.32,-12.18,;28.35,-13.33,;25.8,-12.5,;26.2,-13.99,;24.71,-13.59,;24.78,-11.35,;23.27,-11.67,;25.26,-9.89,;23.68,-10.25,)| | ||
Structure |