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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Choline kinase alpha | ||
| Ligand | BDBM50579765 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2145375 (CHEMBL5029655) | ||
| IC50 | 61±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: |
| ||
| BDBM50579765 | |||
| n/a | |||
| Name | BDBM50579765 | ||
| Synonyms: | CHEMBL5089748 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C17H19ClN8O2S | ||
| Mol. Mass. | 434.903 | ||
| SMILES | NC(=O)Cc1csc(NC(=O)[C@H]2CC[C@H](CC2)n2cnc3c(N)nc(Cl)nc23)n1 |r,wU:14.17,11.10,(21.85,-8.74,;20.81,-9.88,;19.31,-9.55,;21.28,-11.35,;22.78,-11.68,;23.93,-10.66,;25.26,-11.43,;24.94,-12.94,;25.96,-14.09,;27.47,-13.78,;28.5,-14.93,;27.95,-12.32,;26.93,-11.17,;27.41,-9.71,;28.92,-9.4,;29.95,-10.54,;29.46,-12,;29.39,-7.94,;28.49,-6.69,;29.4,-5.45,;30.86,-5.92,;32.19,-5.15,;32.18,-3.61,;33.52,-5.91,;33.53,-7.46,;34.86,-8.23,;32.19,-8.23,;30.86,-7.46,;23.4,-13.09,)| | ||
| Structure | 
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