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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Choline/ethanolamine kinase | ||
| Ligand | BDBM50579741 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2145376 (CHEMBL5029656) | ||
| IC50 | 3767±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/ethanolamine kinase | |||
| Name: | Choline/ethanolamine kinase | ||
| Synonyms: | CHETK | CHKB | CHKB_HUMAN | CHKL | CK | CKB | CKEKB | Choline kinase beta | Choline kinase-like protein | EK | EKB | Ethanolamine kinase | Ethanolamine kinase beta | choline/ethanolamine kinase beta | ||
| Type: | PROTEIN | ||
| Mol. Mass.: | 45262.79 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | ChEMBL_108033 | ||
| Residue: | 395 | ||
| Sequence: |
| ||
| BDBM50579741 | |||
| n/a | |||
| Name | BDBM50579741 | ||
| Synonyms: | CHEMBL5076272 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C19H21ClN6O2 | ||
| Mol. Mass. | 400.862 | ||
| SMILES | COc1cccc(NC(=O)[C@H]2CC[C@H](CC2)n2cnc3c(N)nc(Cl)nc23)c1 |r,wU:13.16,10.9,(1.96,-10.48,;2.99,-11.63,;4.5,-11.31,;4.98,-9.84,;6.49,-9.53,;7.51,-10.68,;7.02,-12.13,;8.05,-13.28,;9.56,-12.97,;10.58,-14.12,;10.04,-11.51,;9.02,-10.36,;9.5,-8.9,;11,-8.59,;12.04,-9.73,;11.55,-11.19,;11.48,-7.13,;10.58,-5.88,;11.49,-4.63,;12.95,-5.11,;14.28,-4.33,;14.27,-2.79,;15.62,-5.1,;15.62,-6.65,;16.96,-7.42,;14.28,-7.42,;12.95,-6.65,;5.52,-12.45,)| | ||
| Structure | 
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