Drug-Metabolite-Target Combinations with Curated Publicly Available Bioactivity Data

Zenodo (CERN European Organization for Nuclear Research) 2026 Dataset Open access

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Authors: Sofia Larsson, Rocío Mercado, Susanne Winiwarter, Filip N. Miljković
DOI: 10.5281/zenodo.18744002
Cited by: 0

Abstract

This file contains drug-metabolite-target combinations (reaction-target pairs) with curated publicly accessible bioactivity data for human target proteins from BindingDB and ChEMBL. Paper: https://pubs.acs.org/doi/10.1021/acs.molpharmaceut.6c00258

Fields of Study & Subjects

Computational Drug Discovery Methods Pharmacogenetics and Drug Metabolism Metabolomics and Mass Spectrometry Studies

Publication details

Journal / source
Zenodo (CERN European Organization for Nuclear Research)
Publication date
24 February 2026
Language
EN
Document type
Dataset