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Enter Data
| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Choline kinase alpha | ||
| Ligand | BDBM50579773 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2145375 (CHEMBL5029655) | ||
| IC50 | 20±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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| BDBM50579773 | |||
| n/a | |||
| Name | BDBM50579773 | ||
| Synonyms: | CHEMBL5079663 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C21H21ClN8O2S | ||
| Mol. Mass. | 484.962 | ||
| SMILES | NC(=O)Cc1ccc2nc(NC(=O)[C@H]3CC[C@H](CC3)n3cnc4c(N)nc(Cl)nc34)sc2c1 |r,wU:16.19,13.12,(25.2,-43.33,;25.51,-44.84,;26.98,-45.33,;24.36,-45.87,;24.68,-47.38,;23.53,-48.41,;23.85,-49.9,;25.3,-50.38,;25.92,-51.79,;27.46,-51.64,;28.48,-52.79,;29.99,-52.48,;31.01,-53.63,;30.47,-51.02,;29.45,-49.87,;29.93,-48.41,;31.44,-48.1,;32.47,-49.24,;31.98,-50.7,;31.91,-46.64,;31.01,-45.39,;31.92,-44.14,;33.38,-44.62,;34.71,-43.85,;34.7,-42.3,;36.05,-44.61,;36.05,-46.16,;37.39,-46.93,;34.72,-46.93,;33.38,-46.16,;27.78,-50.13,;26.44,-49.36,;26.13,-47.86,)| | ||
| Structure | 
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