Currently Available Scaffolds And Mmp Cores In Chembl 20

Name: Currently Available Scaffolds And Mmp Cores In Chembl 20
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: 2015-12-15T00:00:00+08:00

Zenodo2015-12-15 更新2026-04-07 收录

药物分子骨架

匹配分子对核心

数据链接：

https://zenodo.org/record/35375 数据链接链接失效反馈

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资源简介：

All target-based BM scaffolds (Ki: 35,872; IC50: 74,379), CSKs (Ki: 23,056; IC50: 49,216), MMP cores (Ki: 42,104; IC50: 73,616), and retrosynthetic MMP cores (Ki: 19,040; IC50: 32,382) for high confident bioactive compounds extracted from ChEMBL version 20 are provided herein.

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：

2015-12-15