Reaction Details | |||
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Target | Phosphatidylinositol 4-kinase beta | ||
Ligand | BDBM50199999 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1621783 (CHEMBL3864066) | ||
IC50 | 27±n/a nM | ||
Citation | Mejdrová, I; Chalupská, D; Placková, P; Müller, C; ?ála, M; Klíma, M; Baumlová, A; Hrebabecký, H; Procházková, E; Dejmek, M; Strunin, D; Weber, J; Lee, G; Matou?ová, M; Mertlíková-Kaiserová, H; Ziebuhr, J; Birkus, G; Boura, E; Nencka, R Rational Design of Novel Highly Potent and Selective Phosphatidylinositol 4-Kinase IIIß (PI4KB) Inhibitors as Broad-Spectrum Antiviral Agents and Tools for Chemical Biology. J Med Chem60:100-118 (2017) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Phosphatidylinositol 4-kinase beta | |||
Name: | Phosphatidylinositol 4-kinase beta | ||
Synonyms: | NPIK | PI4-kinase beta subunit | PI4K-beta | PI4K92 | PI4KB | PI4KB_HUMAN | PI4Kbeta | PIK4B | PIK4CB | Phosphatidylinositol 4-kinase beta | Phosphatidylinositol 4-kinase, PI4K | PtdIns 4-kinase beta | ||
Type: | Protein | ||
Mol. Mass.: | 91373.30 | ||
Organism: | Homo sapiens (Human) | ||
Description: | n/a | ||
Residue: | 816 | ||
Sequence: |
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BDBM50199999 | |||
n/a | |||
Name | BDBM50199999 | ||
Synonyms: | CHEMBL3986552 | ||
Type | Small organic molecule | ||
Emp. Form. | C24H32ClN7O4S | ||
Mol. Mass. | 550.073 | ||
SMILES | COc1ccc(cc1S(=O)(=O)NC1CCC(N)CC1)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12 |(11.76,-30.3,;12.78,-29.15,;12.29,-27.69,;10.78,-27.38,;10.29,-25.92,;11.32,-24.77,;12.83,-25.08,;13.31,-26.54,;14.81,-26.85,;15.21,-25.35,;16.3,-26.44,;15.39,-28.28,;16.93,-28.33,;17.65,-29.69,;19.18,-29.75,;20,-28.44,;21.54,-28.5,;19.28,-27.08,;17.73,-27.02,;10.83,-23.31,;11.73,-22.06,;13.27,-22.04,;10.82,-20.81,;9.35,-21.3,;8.01,-20.54,;8.01,-19,;6.67,-18.23,;5.34,-19.01,;4,-18.25,;3.99,-16.71,;2.65,-15.95,;5.32,-15.93,;6.69,-21.31,;6.69,-22.85,;5.37,-23.63,;8.04,-23.62,;9.37,-22.84,)| | ||
Structure |