pyrotinib [Ligand Id: 9662] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL3647420
  • epidermal growth factor receptor/Epidermal growth factor receptor erbB1 in Human [ChEMBL: CHEMBL203] [GtoPdb: 1797] [UniProtKB: P00533]
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  • erb-b2 receptor tyrosine kinase 2 in Human [GtoPdb: 2019] [UniProtKB: P04626]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
epidermal growth factor receptor/Epidermal growth factor receptor erbB1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL203] [GtoPdb: 1797] [UniProtKB: P00533]
ChEMBL Cell Proliferation Inhibition Assay: The following in vitro assay is to determine the activity of the tested compounds for inhibiting the proliferation of cancer cells, which has high expression of EGFR. The activity is represented by the IC50 value. The general procedures of the assay are given as follows: The cancer cells A431 that highly expressing EGFR (Institute of biochemistry and cell biology) were chosen and seeded to 96-well cell culture plate at a suitable concentration (e.g., 5000 cells/mL medium). The cells then were incubated in carbon dioxide (CO2) incubator until they reached 85% confluency. Then, the cell culture medium was replaced by fresh one with tested compounds added in it at serial concentrations (general 6 to 7 concentrations). Then the cells were put back to the incubator and cultured continuously. 72 hours later, the activity of the tested compounds for inhibiting the cell proliferation was determined by using Sulforhodamine B (SRB) method. B 7.35 pIC50 45 nM IC50 US-9358227-B2. Pharmaceutical uses of 6-amino quinazoline or 3-cyano quinoline derivatives (2016)
ChEMBL Time-Resolved Fluorescence Assay: The following assay may be used to determine the activity of the compounds of the invention for inhibiting EGFR kinase activity. The half maximal inhibitory concentration IC50 (the concentration of the tested compound showing 50% inhibition of the enzyme activity) of each compound was determined by incubating several different concentrations of the tested compounds with a specific enzyme and substrate. EGFR kinase used in this assay is a human-derived recombinant protein (Cell signaling technology, #7908), which was reacted with peptide substrate and different concentrations of tested compounds in a buffer solution containing 60 mM HEPES (pH7.5), 5 mM MgCl2, 5 mM MnCl2, 3 μM Na3VO4, 1.25 M DTT (1000×) and 20 μM ATP at 25° C., for 45 minutes. The EGFR kinase activity was determined by using a Time-Resolved fluorescence method. B 7.89 pIC50 13 nM IC50 US-9358227-B2. Pharmaceutical uses of 6-amino quinazoline or 3-cyano quinoline derivatives (2016)
GtoPdb - - 7.89 pIC50 13 nM IC50 Eur J Pharm Sci (2017) 110: 51-61 [PMID:28115222]
erb-b2 receptor tyrosine kinase 2 in Human [GtoPdb: 2019] [UniProtKB: P04626]
GtoPdb - - 7.42 pIC50 38 nM IC50 Eur J Pharm Sci (2017) 110: 51-61 [PMID:28115222]

ChEMBL data shown on this page come from version 28:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, Cibrián-Uhalte E, Davies M, Dedman N, Karlsson A, Magariños MP, Overington JP, Papadatos G, Smit I, Leach AR. (2017) 'The ChEMBL database in 2017.' Nucleic Acids Res., 45(D1). DOI: 10.1093/nar/gkw1074. [PMCID:5210557]