Data was sourced from MolMeDB and ChEMBL. The data in ChEMBL was fetched by the ChEMBL data web service. For this purpose, the KNIME 41 semi-automatic workflow was created. This workflow fetched information about molecules (SMILES, name, ChEMBL ID), publication (DOI), and interactions. All interactions were converted to decimal logarithms, and all units of interactions were converted to cm•s -1 . Fetched data are available in MolMeDB. This data is labelled as ChEMBL in the Secondary reference column in MolMeDB. The content of MolMeDB was exported as a .csv file. This is possible on the website .