1. 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)
-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-assay interference compounds
Baell, J. B. and Walters, M. A., Nature 513, 481–483 (2014)

3. PAINS: Pan-assay interference compounds
Possible false positive signal mechanisms:
- Form aggregates
- Absorb or emit light at relevant wavelengths (λex = 680 nm or λem = 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-assay interference compounds
Baell, J. B. et Al. Aust. J. Chem. 66, 1483–1494 (2013)

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

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

7. Frequent hitters (promiscuous compounds)
Hu, Y. and Bajorath, J. AAPS J. 15, 808–815 (2013)

8. Frequent hitters (promiscuous compounds)
Hu, Y. and Bajorath, J. AAPS J. 15, 808–815 (2013)

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

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

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

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

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

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

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

16. Pan-assay interference compounds
PAINS
Pan-assay interference compounds