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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Choline kinase alpha | ||
| Ligand | BDBM50579742 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2145375 (CHEMBL5029655) | ||
| IC50 | 249±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: |
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| BDBM50579742 | |||
| n/a | |||
| Name | BDBM50579742 | ||
| Synonyms: | CHEMBL5094399 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C20H23ClN6O3 | ||
| Mol. Mass. | 430.888 | ||
| SMILES | COc1ccc(NC(=O)[C@H]2CC[C@H](CC2)n2cnc3c(N)nc(Cl)nc23)cc1OC |r,wU:12.15,9.8,(23.03,-8.38,;22.55,-9.84,;23.57,-10.99,;25.08,-10.68,;26.11,-11.83,;25.62,-13.29,;26.64,-14.44,;28.15,-14.12,;29.18,-15.27,;28.64,-12.66,;27.61,-11.51,;28.09,-10.05,;29.6,-9.74,;30.63,-10.88,;30.15,-12.35,;30.08,-8.28,;29.17,-7.03,;30.08,-5.79,;31.54,-6.26,;32.87,-5.49,;32.87,-3.95,;34.21,-6.25,;34.22,-7.8,;35.55,-8.57,;32.88,-8.57,;31.54,-7.8,;24.12,-13.61,;23.09,-12.46,;21.58,-12.78,;20.55,-11.63,)| | ||
| Structure | 
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