Reaction Details | |||
---|---|---|---|
Report a problem with these data | |||
Target | Choline kinase alpha | ||
Ligand | BDBM50579760 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_2145375 (CHEMBL5029655) | ||
IC50 | 126±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: |
| ||
BDBM50579760 | |||
n/a | |||
Name | BDBM50579760 | ||
Synonyms: | CHEMBL5085340 | ||
Type | Small organic molecule | ||
Emp. Form. | C15H17ClN8OS | ||
Mol. Mass. | 392.866 | ||
SMILES | Cc1nnc(NC(=O)[C@H]2CC[C@H](CC2)n2cnc3c(N)nc(Cl)nc23)s1 |r,wU:11.14,8.7,(65.22,-29.75,;66.73,-30.08,;67.88,-29.06,;69.21,-29.83,;68.89,-31.35,;69.91,-32.5,;71.42,-32.18,;72.44,-33.33,;71.9,-30.72,;70.88,-29.57,;71.36,-28.11,;72.86,-27.8,;73.9,-28.94,;73.41,-30.41,;73.34,-26.34,;72.44,-25.09,;73.35,-23.85,;74.81,-24.33,;76.14,-23.55,;76.13,-22.01,;77.47,-24.32,;77.48,-25.87,;78.81,-26.63,;76.14,-26.64,;74.81,-25.87,;67.35,-31.49,)| | ||
Structure |