A Set Of 72 Kinase Inhibitors

Name: A Set Of 72 Kinase Inhibitors
Creator: 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.
Published: 2014-05-02T00:00:00+08:00

Zenodo2014-05-02 更新2026-04-07 收录

激酶抑制剂

分子指纹

数据链接：

https://zenodo.org/record/9223 数据链接链接失效反馈

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资源简介：

A set of 72 known kinase inhibitors was assembled from ChEMBL release 18. For each inhibitor, MACCS and ECFP4 representations are provided. Both fingerprints were calculated using an in-house implementation based upon OpenEye's OEChem toolkit. For MACCS, we used SMARTS patterns adapted from RDKit.

提供机构：

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.

创建时间：

2014-05-02