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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Choline kinase alpha | ||
| Ligand | BDBM50579744 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2145375 (CHEMBL5029655) | ||
| IC50 | 339±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: |
| ||
| BDBM50579744 | |||
| n/a | |||
| Name | BDBM50579744 | ||
| Synonyms: | CHEMBL5092689 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C25H26N6O3 | ||
| Mol. Mass. | 458.5123 | ||
| SMILES | COc1cccc(NC(=O)[C@H]2CC[C@H](CC2)n2cnc3c(N)nc(nc23)-c2cccc(O)c2)c1 |r,wU:13.16,10.9,(59.14,-11.11,;60.17,-12.25,;61.68,-11.93,;62.16,-10.46,;63.67,-10.15,;64.7,-11.3,;64.21,-12.76,;65.23,-13.91,;66.74,-13.6,;67.77,-14.75,;67.23,-12.13,;66.2,-10.98,;66.68,-9.52,;68.19,-9.21,;69.22,-10.35,;68.74,-11.82,;68.67,-7.75,;67.76,-6.5,;68.67,-5.26,;70.13,-5.73,;71.46,-4.96,;71.46,-3.42,;72.8,-5.72,;72.81,-7.27,;71.47,-8.05,;70.13,-7.27,;74.13,-8.04,;74.13,-9.58,;75.47,-10.35,;76.8,-9.58,;76.8,-8.03,;78.13,-7.25,;75.46,-7.27,;62.71,-13.08,)| | ||
| Structure | 
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