Title: Kinase Inhibitors and Scaffolds

Type Dataset Hu, Ye, Bajorath, Jürgen (2014): Kinase Inhibitors and Scaffolds. Zenodo. Dataset. https://zenodo.org/record/11573

Authors: Hu, Ye (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.) ; Bajorath, Jürgen (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.) ;

Links

• Item record in Zenodo
• Digital object URL

Summary

On the basis of the assessment of compound and scaffold coverage of human kinome, sets of kinase inhibitors and scaffolds with high-confidence activity data assembled from ChEMBL release 18 are provided. In addition, sets of scaffolds involving in different types of structural relationships, having varying degrees of promiscuity and representing highly potent inhibitors are made available. A documentation file (i.e., README.txt) is given.

More information

• DOI: 10.5281/zenodo.11573

Dates

• Publication date: 2014
• Issued: September 03, 2014

Rights

• https://creativecommons.org/publicdomain/zero/1.0/legalcode Creative Commons Zero v1.0 Universal
• info:eu-repo/semantics/openAccess Open Access

Format

electronic resource

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