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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Choline kinase alpha | ||
| Ligand | BDBM50579734 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2145375 (CHEMBL5029655) | ||
| IC50 | 248±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: |
| ||
| BDBM50579734 | |||
| n/a | |||
| Name | BDBM50579734 | ||
| Synonyms: | CHEMBL5091650 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C19H18ClF3N6O3S | ||
| Mol. Mass. | 502.898 | ||
| SMILES | Nc1nc(Cl)nc2n(cnc12)[C@@H]1CC[C@@H](CC1)C(=O)Nc1ccc(cc1)S(=O)(=O)C(F)(F)F |r,wU:11.12,14.19,(57.56,-20.97,;57.57,-22.51,;58.91,-23.27,;58.91,-24.82,;60.25,-25.59,;57.57,-25.6,;56.24,-24.83,;54.77,-25.3,;53.87,-24.05,;54.78,-22.81,;56.24,-23.29,;54.29,-26.76,;52.79,-27.07,;52.31,-28.53,;53.33,-29.68,;54.84,-29.37,;55.33,-27.9,;52.85,-31.15,;53.87,-32.3,;51.34,-31.46,;50.31,-30.31,;50.8,-28.85,;49.78,-27.7,;48.27,-28.01,;47.79,-29.49,;48.81,-30.63,;47.24,-26.86,;46.83,-25.37,;48.33,-25.76,;45.9,-27.62,;45.89,-29.16,;44.57,-26.84,;44.56,-28.39,)| | ||
| Structure | 
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