Highly promiscuous compounds from PubChem assays

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. Otherwise the status is set "passed". "ChEMBL analogues" lists the ChEMBL compound IDs of structural analogs of highly promiscuous compounds (if available). For the 466 compounds the number of targets and the corresponding PubChem target IDs are given in the last two columns. Compounds 1-26 (Compound No. 1-26) correspond to compounds shown in the publication.