References
- Aldrich C, Bertozzi C, Georg GI, et al. The ecstasy and agony of assay interference compounds. J Med Chem. 2017;60:2165–2168.
- Baell JB, Walters MA. Chemistry: chemical con artists foil drug discovery. Nature. 2014;513:481–483.
- McGovern SL, Caselli E, Griorieff N, et al. A common mechanism underlying promiscuous inhibitors from virtual and high-throughput screening. J Med Chem. 2002;45:1712–1722.
- Irwin JJ, Duan D, Torosyan H, et al. An aggregation advisor for ligand discovery. J Med Chem. 2015;58:1712–1722.
- Baell JB, Holloway GA. New substructure filters for removal of pan assay interference compounds (PAINS) from screening libraries and for their exclusion in bioassays. J Med Chem. 2010;53:2719–2740. .
- Baell JB, Nissink JWM. Seven year itch: pan-assay interference compounds (PAINS) in 2017 - utility and limitations. ACS Chem Biol. 2018;13:36–44.
- Bisson J, McAlpine JB, Friesen JB, et al. Can invalid bioactives undermine natural product-based drug discovery? J Med Chem. 2016;59:1671–1690.
- Bruns RF, Watson IA. Rules for identifying potentially reactive or promiscuous compounds. J Med Chem. 2012;55:9763–9772. .
- Dahlin JL, Nissink JWM, Strasser JM, et al. PAINS in the assay: chemical mechanisms of assay interference and promiscuous enzymatic inhibition observed during a sulfhydryl-scavenging HTS. J Med Chem. 2015;58:2091–2113. .
- Nelson KM, Dahlin JL, Bisson J, et al.The essential medicinal chemistry of curcumin.J Med Chem.2017;60:1620−1637.
- Reis J, Gaspar A, Milhazes N, et al. Chromone as a privileged scaffold in drug discovery: recent advances. J Med Chem. 2017;60:7941–7957.
- Mendgen T, Steuer C, Klein CD. Privileged scaffolds or promiscuous binders: a comparative study on rhodanines and related heterocycles in medicinal chemistry. J Med Chem. 2012;55:743–753.
- Capuzzi SJ, Muratov EN, Phantom TA. PAINS: problems with the utility of alerts for pan-assay INterference compoundS. J Chem Inf Model. 2017;57:417–427.
- Jasial S, Hu BJ. How frequently are pan assay interference compounds active? Large-scale analysis of screening data reveals diverse activity profiles, low global hit frequency, and many consistently inactive compounds. J Med Chem. 2017;60:3879–3886.
- Gilberg E, Gütschow M, Bajorath J. X-ray structures of target-ligand complexes containing compounds with assay interference potential. J Med Chem. 2018;61:1276–1284.
- Gilberg E, Stumpfe D, Bajorath J. Towards a systematic assessment of assay interference: identification of extensively tested compounds with high assay promiscuity. F1000Res. 2017;6(ChemInf Sci):e1505.
- Stumpfe D, Gilberg E, Bajorath J. Series of screening compounds with high hit rates for the exploration of multi-target activities and assay interference. Future Sci OA. 2018;4:FSO279.
- Dahlin JL, Auld DS, Rothenaigner I, et al. Nuisance compounds in cellular assays. Cell Chem Biol. in press. DOI:10.1016/j.chembiol.2021.01.021