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PAINS Pan- assay interference compounds

PAINS Pan- assay interference compounds. - Baell , J. B. and Walters, M. A., Nature 513, 481–483 (2014) - Dahlin , J. L. & Walters, M. A. Future Med. Chem. 6, 1265–1290 (2014) - Hu , Y. and Bajorath , J. AAPS J. 15, 808–815 (2013)

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PAINS Pan- assay interference compounds

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  1. PAINS Pan-assayinterferencecompounds -Baell, J. B. and Walters, M. A., Nature 513, 481–483 (2014) -Dahlin, J. L. & Walters, M. A. Future Med. Chem. 6, 1265–1290 (2014) -Hu, Y. and Bajorath, J. AAPS J. 15, 808–815 (2013) -Baell, J. B. et Al. Aust. J. Chem. 66, 1483–1494 (2013) -Baell, J. B. and Holloway, G. A. J. Med. Chem. 53, 2719–2740 (2010)

  2. PAINS: Pan-assayinterferencecompounds Baell, J. B. and Walters, M. A., Nature 513, 481–483 (2014)

  3. PAINS: Pan-assayinterferencecompounds • Possible false positive signal mechanisms: • - Formaggregates • - Absorb or emit light at relevant wavelengths (λex= 680 nm or λem= 520-620 nm) • - Trap toxic or reactive metals used to synthesize molecules • - Sequester metal ions that are essential to a protein’s function • React with singlet oxygen • Redox cyclers: produce hydrogen peroxide, which inactivates the target protein and makes the compound look like a good inhibitor • - Are inherently “sticky” and can bind to many sites on proteins • Alter proteins chemically without fitting specifically into a binding site • Covalently bind to proteins

  4. PAINS: Pan-assayinterferencecompounds Baell, J. B. et Al. Aust. J. Chem. 66, 1483–1494 (2013)

  5. PAINS: Pan-assayinterferencecompounds Baell, J. B. et Al. Aust. J. Chem. 66, 1483–1494 (2013)

  6. PAINS: Pan-assayinterferencecompounds Baell, J. B. et Al. Aust. J. Chem. 66, 1483–1494 (2013)

  7. Frequenthitters (promiscuouscompounds) Hu, Y. and Bajorath, J. AAPS J. 15, 808–815 (2013)

  8. Frequenthitters (promiscuouscompounds) Hu, Y. and Bajorath, J. AAPS J. 15, 808–815 (2013)

  9. PAINS: Pan-assayinterferencecompounds Baell, J. B. and Holloway, G. A. J. Med. Chem. 53, 2719–2740 (2010)

  10. PAINS: Pan-assayinterferencecompounds Baell, J. B. and Holloway, G. A. J. Med. Chem. 53, 2719–2740 (2010)

  11. PAINS: Pan-assayinterferencecompounds Baell, J. B. and Holloway, G. A. J. Med. Chem. 53, 2719–2740 (2010)

  12. PAINS: Pan-assayinterferencecompounds Baell, J. B. and Holloway, G. A. J. Med. Chem. 53, 2719–2740 (2010)

  13. PAINS: Pan-assayinterferencecompounds Baell, J. B. et Al. Aust. J. Chem. 66, 1483–1494 (2013)

  14. PAINS: Pan-assayinterferencecompounds Baell, J. B. et Al. Aust. J. Chem. 66, 1483–1494 (2013)

  15. PAINS: Pan-assayinterferencecompounds Baell, J. B. et Al. Aust. J. Chem. 66, 1483–1494 (2013)

  16. PAINS Pan-assayinterferencecompounds

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