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Enter Data
| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Choline kinase alpha | ||
| Ligand | BDBM50579779 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2145375 (CHEMBL5029655) | ||
| IC50 | 14±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: |
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| BDBM50579779 | |||
| n/a | |||
| Name | BDBM50579779 | ||
| Synonyms: | CHEMBL5091519 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C21H26Cl2N8OS | ||
| Mol. Mass. | 509.455 | ||
| SMILES | Cl.Nc1nc(Cl)nc2n(cnc12)[C@@H]1CC[C@@H](CC1)C(=O)Nc1nc2CCN(Cc2s1)C1CC1 |r,wU:12.12,15.19,(65.78,-4.32,;78.94,-3.56,;78.95,-5.1,;80.28,-5.86,;80.29,-7.41,;81.63,-8.18,;78.95,-8.19,;77.62,-7.41,;76.15,-7.89,;75.25,-6.64,;76.15,-5.4,;77.62,-5.87,;75.67,-9.35,;74.17,-9.66,;73.69,-11.12,;74.71,-12.27,;76.22,-11.96,;76.71,-10.49,;74.23,-13.74,;75.25,-14.89,;72.72,-14.05,;71.69,-12.9,;70.15,-13.04,;69.54,-11.64,;68.08,-11.17,;67.76,-9.66,;68.91,-8.64,;70.37,-9.12,;70.68,-10.61,;72.01,-11.38,;68.59,-7.13,;69.08,-5.67,;67.57,-5.98,)| | ||
| Structure | 
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