Published November 15, 2019
| Version v1
Dataset
Open
Promiscuous compounds with activity against different target classes
- 1. Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universität, Endenicher Allee 19c, D-53115 Bonn, Germany.
Description
Reported are 1063 promiscuous compounds with activity against multiple target classes identified in PubChem. The tab-separated file consists of four columns:
- cid: compound identifier (CID) from PubChem
- NonstereoAromaticSMILES: SMILES representation of a compound
- Number_of_tested_targets: total number of targets a compound was tested against in PubChem
- PD: promiscuity degree (PD) of a compound, defined as the number of targets it was found active against
Files
Files
(62.3 kB)
| Name | Size | Download all |
|---|---|---|
|
md5:3d2028c09feea5dc66f1590cad5e73a3
|
62.3 kB | Download |