Structured data sets of compounds with multi-target and corresponding single-target activity from biological assays.
Ontology highlight
ABSTRACT: Aim
Providing compound data sets for promiscuity analysis with single-target (ST) and multi-target (MT) activity, taking confirmed inactivity against targets into account.Methodology
Compounds and target annotations are extracted from screening assays. For a given combination of targets, MT and ST compounds are identified, ensuring test data completeness.Exemplary results & data
A total of 1242 MT compounds active against five or more targets and 6629 corresponding ST compounds are characterized, organized and made freely available.Limitations & next steps
Screening campaigns typically cover a smaller target space than compounds from the medicinal chemistry literature and their activity annotations might be of lesser quality. Reported compound groups will be subjected to target set-based promiscuity analysis and predictions.
SUBMITTER: Feldmann C
PROVIDER: S-EPMC8147869 | biostudies-literature |
REPOSITORIES: biostudies-literature
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