ChEMBL

ChEMBL
内容
相關信息
研究中心	歐洲分子生物學實驗室
实验室	英国歐洲生物信息學研究所（英语：European Bioinformatics Institute）
創始人	John Overington（2008年至2015年的團隊負責人）; Andrew Leach（2016年至今的團隊負責人）
发布日期	2009
访问入口
网站	ChEMBL
下載地址	Downloads
網絡服務地址	ChEMBL Webservices
Sparql終端	ChEMBL EBI-RDF Platform
工具
其他
许可	The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported Licence
版本	ChEMBL_28

ChEMBL或ChEMBLdb是具有類藥物特性生物活性分子的化學數據庫。^[1]

由英國南劍橋郡辛克斯頓（英语：Hinxton）威康信託基因組園區（英语：Wellcome Trust Genome Campus）歐洲分子生物學實驗室EMBL的歐洲生物信息學研究所EBI（英语：European Bioinformatics Institute）維護。

該數據庫由一家名為Inpharmatica Ltd.的生物技術公司開發，被稱為StARlite；後來被Galapagos NV（英语：Galapagos NV）收購。^[2]隨後在EMBL-EBI由John Overington領導ChEMBL化學基因組學（英语：chemogenomics）小組成立。^[3]^[4]

^ Gaulton, A; et al. ChEMBL: a large-scale bioactivity database for drug discovery. Nucleic Acids Research. 2011, 40 (Database issue): D1100–7. PMC 3245175 . PMID 21948594. doi:10.1093/nar/gkr777.
^ Open access drug discovery database launches with half a million compounds | Wellcome. wellcome.ac.uk. 18 January 2010 [31 August 2019].
^ Bender, A. Databases: Compound bioactivities go public. Nature Chemical Biology. 2010, 6 (5): 309. doi:10.1038/nchembio.354 .
^ Overington J. ChEMBL. An interview with John Overington, team leader, chemogenomics at the European Bioinformatics Institute Outstation of the European Molecular Biology Laboratory (EMBL-EBI). Interview by Wendy A. Warr. J. Comput.-Aided Mol. Des. April 2009, 23 (4): 195–8. Bibcode:2009JCAMD..23..195W. PMID 19194660. S2CID 2946417. doi:10.1007/s10822-009-9260-9.

[Gaulton-1] Gaulton, A; et al. ChEMBL: a large-scale bioactivity database for drug discovery. Nucleic Acids Research. 2011, 40 (Database issue): D1100–7. PMC 3245175 . PMID 21948594. doi:10.1093/nar/gkr777.

[2] Open access drug discovery database launches with half a million compounds | Wellcome. wellcome.ac.uk. 18 January 2010 [31 August 2019].

[Bender-3] Bender, A. Databases: Compound bioactivities go public. Nature Chemical Biology. 2010, 6 (5): 309. doi:10.1038/nchembio.354 .

[pmid19194660-4] Overington J. ChEMBL. An interview with John Overington, team leader, chemogenomics at the European Bioinformatics Institute Outstation of the European Molecular Biology Laboratory (EMBL-EBI). Interview by Wendy A. Warr. J. Comput.-Aided Mol. Des. April 2009, 23 (4): 195–8. Bibcode:2009JCAMD..23..195W. PMID 19194660. S2CID 2946417. doi:10.1007/s10822-009-9260-9.

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