10.5281/zenodo.200393
https://zenodo.org/records/200393
oai:zenodo.org:200393
Dimova, Dilyana
Dilyana
Dimova
Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universität, Dahlmannstr. 2, D-53113 Bonn, Germany
Gilberg, Erik
Erik
Gilberg
Pharmaceutical Institute, University of Bonn, An der Immenburg 4, D-53121 Bonn, Germany
Bajorath, Jürgen
Jürgen
Bajorath
Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universität, Dahlmannstr. 2, D-53113 Bonn, Germany
784 promiscuity cliffs from ChEMBL
Zenodo
2016
Active compounds
Multi-target activities
Interference compounds
Polypharmacology
Promiscuity cliffs
Structure-activity relationships
PAINS
2016-12-12
Creative Commons Attribution 4.0 International
Reported are the 784 promiscuity cliffs formed by compounds from medicinal chemistry sources. Compounds forming cliffs are provided as SMILES. For each compound its promiscuity degree (PD) and the list of ChEMBL target IDs are provided.