December 15, 2025 Dataset Open Access

Emanuel S.R. Ehmki; Torben Gutermuth; Tobias Harren; Stefan Kurtz; Matthias Rarey

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{"@context":"https://schema.org/","@id":"http://doi.org/10.25592/uhhfdm.18143","@type":"Dataset","creator":[{"@id":"https://orcid.org/0000-0003-0457-4856","@type":"Person","affiliation":"University of Hamburg, ZBH - Center for Bioinformatics, Albert Einstein Ring 8-10, 22761 Hamburg, Germany","name":"Emanuel S.R. Ehmki"},{"@id":"https://orcid.org/0000-0002-9304-8251","@type":"Person","affiliation":"University of Hamburg, ZBH - Center for Bioinformatics, Albert Einstein Ring 8-10, 22761 Hamburg, Germany","name":"Torben Gutermuth"},{"@id":"https://orcid.org/0009-0004-1221-7765","@type":"Person","affiliation":"University of Hamburg, ZBH - Center for Bioinformatics, Albert Einstein Ring 8-10, 22761 Hamburg, Germany","name":"Tobias Harren"},{"@id":"https://orcid.org/0000-0001-5783-0054","@type":"Person","affiliation":"University of Hamburg, ZBH - Center for Bioinformatics, Albert Einstein Ring 8-10, 22761 Hamburg, Germany","name":"Stefan Kurtz"},{"@id":"https://orcid.org/0000-0002-9553-6531","@type":"Person","affiliation":"University of Hamburg, ZBH - Center for Bioinformatics, Albert Einstein Ring 8-10, 22761 Hamburg, Germany","name":"Matthias Rarey"}],"datePublished":"2025-12-15","description":"<p>Three supporting data files for the Activityfinder publication are given here.<br>\nTwo are redundantly saved and also present in the journal article: the unwanted ligand list and the amino acid mapping used for the Activityfinder.<br>\nAdditionally, a database dump of the complete ActivityDB used for the publication is provided.</p>","distribution":[{"@type":"DataDownload","contentUrl":"https://www.fdr.uni-hamburg.de/api/files/9aa59a88-9b66-4a11-a60b-650e9d022c16/activitydb_chembl35_pdbmirror_25042025-dump.sql","encodingFormat":"sql"},{"@type":"DataDownload","contentUrl":"https://www.fdr.uni-hamburg.de/api/files/9aa59a88-9b66-4a11-a60b-650e9d022c16/amino_acid_mapping.csv","encodingFormat":"csv"},{"@type":"DataDownload","contentUrl":"https://www.fdr.uni-hamburg.de/api/files/9aa59a88-9b66-4a11-a60b-650e9d022c16/unwanted_ligands.csv","encodingFormat":"csv"}],"identifier":"http://doi.org/10.25592/uhhfdm.18143","keywords":["Dataset, Bioactivities, ChEMBL, PDB"],"license":"https://creativecommons.org/licenses/by-nc-sa/3.0/legalcode","name":"Supporting Information for the ActivityFinder publication","url":"https://www.fdr.uni-hamburg.de/record/18143","version":"1.0.0"}