Published August 5, 2016
| Version v1
Dataset
Open
Analog series from ChEMBL, PubChem, and DrugBank
- 1. Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry, 6 Rheinische Friedrich-Wilhelms-Universitat, Dahlmannstrasse 2, D-53113 Bonn, Germany
Description
The datasets consist of analog series and key compounds extracted from ChEMBL, PubChem, and DrugBank. For each compound structural and activity information is provided.
Files
Files
(26.6 MB)
| Name | Size | Download all |
|---|---|---|
|
md5:c590e5ca468f216ab717a2293c804aad
|
9.9 MB | Download |
|
md5:6c97f91282413dec522cc18e6927f67e
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16.6 MB | Download |
|
md5:bb93c2ac649e951b27ef1c2e24ba840d
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131.1 kB | Download |
Additional details
Related works
- Compiles
- 10.1021/acs.jmedchem.6b00906 (DOI)