ChEMBL: a large-scale bioactivity database for drug discovery

被引：2746

作者：

Gaulton, Anna ^{[1
]}

Bellis, Louisa J. ^{[1
]}

Bento, A. Patricia ^{[1
]}

Chambers, Jon ^{[1
]}

Davies, Mark ^{[1
]}

Hersey, Anne ^{[1
]}

Light, Yvonne ^{[1
]}

McGlinchey, Shaun ^{[1
]}

Michalovich, David ^{[2
]}

Al-Lazikani, Bissan ^{[3
]}

Overington, John P. ^{[1
]}

机构：

[1] EMBL European Bioinformat Inst, Hinxton CB10 1SD, Cambs, England

[2] David Michalovich Sci Consulting, London, England

[3] Inst Canc Res, Canc Res UK Canc Therapeut Unit, Belmont SM2 5NG, Surrey, England

来源：

NUCLEIC ACIDS RESEARCH | 2012年 / 40卷 / D1期

基金：

英国惠康基金; 英国工程与自然科学研究理事会;

关键词：

ACCESSIBLE DATABASE; INFORMATION; PREDICTION; RECEPTORS;

D O I：

10.1093/nar/gkr777

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

ChEMBL is an Open Data database containing binding, functional and ADMET information for a large number of drug-like bioactive compounds. These data are manually abstracted from the primary published literature on a regular basis, then further curated and standardized to maximize their quality and utility across a wide range of chemical biology and drug-discovery research problems. Currently, the database contains 5.4 million bioactivity measurements for more than 1 million compounds and 5200 protein targets. Access is available through a web-based interface, data downloads and web services at: https://www.ebi.ac.uk/chembldb.

引用

页码：D1100 / D1107

页数：8

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