Bioactive compounds with no structural analogs (high-confidence activity data)
| Main Authors: | Dimova, Dilyana, Stumpfe, Dagmar, Bajorath, Jürgen |
|---|---|
| Format: | info dataset Journal |
| Terbitan: |
, 2015
|
| Subjects: | |
| Online Access: |
https://zenodo.org/record/33497 |
Daftar Isi:
- 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'.