Published November 9, 2015
| Version v1
Dataset
Open
Bioactive compounds with no structural analogs (high-confidence activity data)
- 1. Department of Life Science Informatics, Bonn-Aachen International Center for Information Technology, Rheinische Friedrich-Wilhelms-Universität Bonn, Dahlmannstr. 2, D-53113 Bonn, Germany.
Description
A set of 52,815 unique bioactive compounds (human targets, high-confidence activity data) with no structural analogs with high-confidence activity data was extracted from ChEMBL. For each compound the ChEMBL compound ID (CHEMBLID_Compound) and high-confidence target annotation(s) (CHEMBLID_Targets) are provided. The data set was generated as a part of an analysis to be published in 'Medicinal Chemistry Communications'.
Files
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