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Enter Data
| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Choline kinase alpha | ||
| Ligand | BDBM50579749 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2145375 (CHEMBL5029655) | ||
| IC50 | 774±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: |
| ||
| BDBM50579749 | |||
| n/a | |||
| Name | BDBM50579749 | ||
| Synonyms: | CHEMBL5089622 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C26H27N7O3 | ||
| Mol. Mass. | 485.5377 | ||
| SMILES | COc1cccc(NC(=O)[C@H]2CC[C@H](CC2)n2cnc3c(N)nc(nc23)-c2cccc(c2)C(N)=O)c1 |r,wU:13.16,10.9,(-1.11,-49.59,;-.08,-50.73,;1.44,-50.41,;1.92,-48.94,;3.43,-48.63,;4.45,-49.78,;3.96,-51.24,;4.99,-52.39,;6.5,-52.08,;7.52,-53.23,;6.98,-50.61,;5.96,-49.46,;6.44,-48,;7.94,-47.69,;8.98,-48.83,;8.49,-50.3,;8.42,-46.23,;7.52,-44.98,;8.43,-43.74,;9.89,-44.22,;11.22,-43.44,;11.21,-41.9,;12.56,-44.2,;12.56,-45.75,;11.22,-46.53,;9.89,-45.76,;13.89,-46.52,;13.89,-48.06,;15.22,-48.83,;16.56,-48.06,;16.55,-46.51,;15.22,-45.75,;17.88,-45.73,;19.22,-46.5,;17.88,-44.19,;2.46,-51.56,)| | ||
| Structure | 
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