Series of screening compounds with high hit rates for the exploration of multi-target activities and assay interference

AIM: Generation of a database of analog series (ASs) with high assay hit rates for the exploration of assay interference and multi-target activities of compounds. METHODOLOGY: ASs were computationally extracted from extensively tested screening compounds with high hit rates. DATA: A total of 6941 AS...

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Detalles Bibliográficos
Autores principales: Stumpfe, Dagmar, Gilberg, Erik, Bajorath, Jürgen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Future Science Ltd 2018
Materias:
Data Note
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5861374/
https://www.ncbi.nlm.nih.gov/pubmed/29568568
http://dx.doi.org/10.4155/fsoa-2017-0137
Descripción
Sumario:AIM: Generation of a database of analog series (ASs) with high assay hit rates for the exploration of assay interference and multi-target activities of compounds. METHODOLOGY: ASs were computationally extracted from extensively tested screening compounds with high hit rates. DATA: A total of 6941 ASs were assembled comprising 14,646 unique compounds that were tested in a total of 1241 different assays covering 426 specified targets. These ASs were organized and prioritized on the basis of different activity and assay frequency criteria. All ASs and associated information are made available in an open access deposition. NEXT STEPS: The large set of ASs will be further analyzed computationally and from a chemical perspective to identify assay interference compounds and candidates for exploring target promiscuity.

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