Reaction Details | |||
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Target | Choline kinase alpha | ||
Ligand | BDBM50579764 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_2145375 (CHEMBL5029655) | ||
IC50 | 40±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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BDBM50579764 | |||
n/a | |||
Name | BDBM50579764 | ||
Synonyms: | CHEMBL5086885 | ||
Type | Small organic molecule | ||
Emp. Form. | C16H18ClN7OS | ||
Mol. Mass. | 391.878 | ||
SMILES | Cc1cnc(NC(=O)[C@H]2CC[C@H](CC2)n2cnc3c(N)nc(Cl)nc23)s1 |r,wU:11.14,8.7,(4.59,-8.31,;4.75,-9.84,;3.6,-10.86,;4.22,-12.27,;5.76,-12.12,;6.78,-13.27,;8.29,-12.96,;9.31,-14.11,;8.77,-11.5,;7.75,-10.35,;8.23,-8.89,;9.74,-8.58,;10.77,-9.72,;10.28,-11.19,;10.21,-7.12,;9.31,-5.87,;10.22,-4.63,;11.68,-5.11,;13.01,-4.33,;13,-2.79,;14.34,-5.1,;14.35,-6.65,;15.68,-7.41,;13.01,-7.42,;11.68,-6.65,;6.08,-10.61,)| | ||
Structure |