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Enter Data
| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Choline kinase alpha | ||
| Ligand | BDBM50579746 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2145375 (CHEMBL5029655) | ||
| IC50 | 479±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: |
| ||
| BDBM50579746 | |||
| n/a | |||
| Name | BDBM50579746 | ||
| Synonyms: | CHEMBL5082454 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C24H25N7O2 | ||
| Mol. Mass. | 443.501 | ||
| SMILES | COc1cccc(NC(=O)[C@H]2CC[C@H](CC2)n2cnc3c(N)nc(nc23)-c2cccnc2)c1 |r,wU:13.16,10.9,(23.3,-29.97,;24.33,-31.11,;25.84,-30.79,;26.32,-29.32,;27.83,-29.01,;28.86,-30.16,;28.37,-31.62,;29.39,-32.77,;30.9,-32.46,;31.93,-33.61,;31.39,-30.99,;30.36,-29.84,;30.84,-28.38,;32.35,-28.07,;33.38,-29.21,;32.9,-30.68,;32.83,-26.61,;31.92,-25.36,;32.83,-24.12,;34.29,-24.6,;35.62,-23.82,;35.62,-22.28,;36.96,-24.58,;36.96,-26.13,;35.63,-26.91,;34.29,-26.13,;38.29,-26.9,;38.29,-28.44,;39.63,-29.21,;40.96,-28.44,;40.96,-26.89,;39.62,-26.13,;26.87,-31.94,)| | ||
| Structure | 
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