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
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author Stumpfe, Dagmar
Gilberg, Erik
Bajorath, Jürgen
author_facet Stumpfe, Dagmar
Gilberg, Erik
Bajorath, Jürgen
author_sort Stumpfe, Dagmar
collection PubMed
description 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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spelling pubmed-58613742018-03-22 Series of screening compounds with high hit rates for the exploration of multi-target activities and assay interference Stumpfe, Dagmar Gilberg, Erik Bajorath, Jürgen Future Sci OA Data Note 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. Future Science Ltd 2018-01-05 /pmc/articles/PMC5861374/ /pubmed/29568568 http://dx.doi.org/10.4155/fsoa-2017-0137 Text en © 2018 Jürgen Bajorath This work is licensed under a Creative Commons Attribution 4.0 License (http://creativecommons.org/licenses/by/4.0/)
spellingShingle Data Note
Stumpfe, Dagmar
Gilberg, Erik
Bajorath, Jürgen
Series of screening compounds with high hit rates for the exploration of multi-target activities and assay interference
title Series of screening compounds with high hit rates for the exploration of multi-target activities and assay interference
title_full Series of screening compounds with high hit rates for the exploration of multi-target activities and assay interference
title_fullStr Series of screening compounds with high hit rates for the exploration of multi-target activities and assay interference
title_full_unstemmed Series of screening compounds with high hit rates for the exploration of multi-target activities and assay interference
title_short Series of screening compounds with high hit rates for the exploration of multi-target activities and assay interference
title_sort series of screening compounds with high hit rates for the exploration of multi-target activities and assay interference
topic Data Note
url 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
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