Highly promiscuous compounds from PubChem assays

Dataset OPEN
Gilberg, Erik; Jasial, Swarit; Stumpfe, Dagmar; Dimova, Dilyana; Bajorath, Jürgen;
(2016)
  • Publisher: Figshare
  • Related identifiers: doi: 10.5281/zenodo.164405
  • Subject: Promiscuity degree | Compound promiscuity | Aggregators | Chemical liability | zenodo | Polypharmacology | Data mining | Promiscuity | Multitarget activity | PAINS | Pan-assay interference compounds | Uncategorized

<p>For the pool of 466 detected highly promiscuous compounds the PubChem ID and the corresponding ChEMBL ID(s) are provided. In addition, the detection status is set to "pains" or "aggregator" if the compound was detected as PAINS or an aggregator, respectively. Otherwi... View more
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