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ID: ALA3637782
Title: GSK Tres Cantos Follow-up TB Screening Data.
Authors: Rebollo-Lopez, M. J.; Lelièvre, J.; Alvarez-Gomez, D.; Castro-Pichel, J.; Martínez-Jiménez, F.; Papadatos, G.; Kumar, V.; Colmenarejo, G.; Mugumbate, G.; Hurle, M.; Barroso, V.; Young, R. J.; Martinez-Hoyos, M.; González del Río, R.; Bates, R. H.; Lopez-Roman, E. M.; Mendoza-Losana, A.; Brown, J. R.; Alvarez-Ruiz, E.; Marti-Renom, M. A.; Overington, J. P.; Cammack, N.; Ballell, L.; Barros-Aguire, D.,
Abstract: Second Tres Cantos TB TCAMS dataset. As a follow up to the antimycobacterial screening effort and subsequent release of GSK´s first Tres Cantos Antimycobacterial Set (deposited on the 11th of January 2013), a second antitubercular screening campaign of 250,000 structurally novel compounds recently added to the GSK collection was performed. The compounds were further prioritized based on, not only antitubercular potency, but also on their physicochemical characteristics. The results for 50 most attractive compounds (Activity against BCG, Replicating and Non-replicating Mtb, Intracellular activity and against resistant strains) are made available in this deposition, as well as a number of critical physico-chemical properties. All efforts have been made to ensure data quality and accuracy, but users are reminded that these data carry the usual caveats associated with results from large-scale screening.