Reaction Details | |||
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Target | Choline kinase alpha | ||
Ligand | BDBM50579775 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_2145375 (CHEMBL5029655) | ||
IC50 | 28±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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BDBM50579775 | |||
n/a | |||
Name | BDBM50579775 | ||
Synonyms: | CHEMBL5085262 | ||
Type | Small organic molecule | ||
Emp. Form. | C19H17ClFN7OS | ||
Mol. Mass. | 445.901 | ||
SMILES | Nc1nc(Cl)nc2n(cnc12)[C@@H]1CC[C@@H](CC1)C(=O)Nc1nc2ccc(F)cc2s1 |r,wU:11.12,14.19,(75.4,-43.26,;75.4,-44.81,;76.74,-45.57,;76.75,-47.12,;78.08,-47.89,;75.41,-47.89,;74.07,-47.12,;72.61,-47.6,;71.7,-46.35,;72.61,-45.1,;74.07,-45.58,;72.13,-49.06,;70.62,-49.37,;70.14,-50.83,;71.16,-51.98,;72.68,-51.67,;73.16,-50.2,;70.68,-53.44,;71.71,-54.59,;69.17,-53.76,;68.15,-52.61,;66.61,-52.75,;65.99,-51.34,;64.54,-50.86,;64.22,-49.37,;65.37,-48.34,;65.06,-46.83,;66.83,-48.82,;67.13,-50.32,;68.47,-51.09,)| | ||
Structure |