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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Choline kinase alpha | ||
| Ligand | BDBM50579763 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2145375 (CHEMBL5029655) | ||
| IC50 | 288±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: |
| ||
| BDBM50579763 | |||
| n/a | |||
| Name | BDBM50579763 | ||
| Synonyms: | CHEMBL5094555 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C15H17ClN8O | ||
| Mol. Mass. | 360.801 | ||
| SMILES | Nc1nc(Cl)nc2n(cnc12)[C@@H]1CC[C@@H](CC1)C(=O)Nc1ncc[nH]1 |r,wU:11.12,14.19,(51.87,-36.76,;51.88,-38.3,;53.21,-39.06,;53.22,-40.61,;54.55,-41.38,;51.88,-41.39,;50.55,-40.61,;49.08,-41.09,;48.18,-39.84,;49.09,-38.6,;50.55,-39.08,;48.6,-42.55,;47.1,-42.86,;46.62,-44.32,;47.64,-45.47,;49.15,-45.15,;49.64,-43.69,;47.16,-46.93,;48.18,-48.08,;45.65,-47.24,;44.63,-46.09,;44.95,-44.58,;43.62,-43.8,;42.47,-44.83,;43.09,-46.24,)| | ||
| Structure | 
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