Reaction Details | |||
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Target | Phosphatidylinositol 4-kinase alpha | ||
Ligand | BDBM50200101 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1621785 (CHEMBL3864068) | ||
IC50 | 553±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 alpha | |||
Name: | Phosphatidylinositol 4-kinase alpha | ||
Synonyms: | PI4-kinase alpha | PI4-kinase alpha subunit | PI4K-alpha | PI4KA | PI4KA/PI4KAP2 | PI4KA_HUMAN | PIK4 | PIK4 | PIK4CA | Phosphatidylinositol 4-kinase alpha | Phosphatidylinositol 4-kinase alpha (PI4KA) | PtdIns-4-kinase alpha | ||
Type: | Protein | ||
Mol. Mass.: | 231326.70 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P42356 | ||
Residue: | 2102 | ||
Sequence: |
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BDBM50200101 | |||
n/a | |||
Name | BDBM50200101 | ||
Synonyms: | CHEMBL3947384 | ||
Type | Small organic molecule | ||
Emp. Form. | C28H34ClN7O3S | ||
Mol. Mass. | 584.133 | ||
SMILES | CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)NC2CCC(N)CC2)ccn1 |(11.1,-17.02,;11.1,-18.55,;9.77,-19.32,;9.77,-20.86,;8.43,-21.63,;8.43,-23.17,;9.77,-23.94,;9.77,-25.48,;8.43,-26.25,;8.43,-27.79,;7.1,-28.56,;9.77,-28.56,;11.1,-27.79,;12.56,-28.27,;13.48,-27.02,;15.02,-27.02,;12.56,-25.77,;11.1,-26.25,;13.04,-29.73,;12.01,-30.88,;12.48,-32.34,;13.99,-32.66,;14.47,-34.12,;13.44,-35.27,;15.03,-31.52,;14.55,-30.05,;16.53,-31.83,;16.92,-30.34,;18.02,-31.43,;17.22,-33.21,;18.76,-33.29,;19.46,-34.66,;21,-34.74,;21.84,-33.45,;23.38,-33.53,;21.14,-32.07,;19.6,-32,;7.1,-20.86,;7.1,-19.32,;8.43,-18.55,)| | ||
Structure |