Data source details

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ChEMBL is a database of bioactive drug-like small molecules, it contains 2-D structures, calculated properties (e.g. logP, Molecular Weight, Lipinski Parameters, etc.) and abstracted bioactivities (e.g. binding constants, pharmacology and ADMET data). We attempt to normalise the bioactivities into a uniform set of end-points and units where possible, and also to tag the links between a molecular target and a published assay with a set of varying confidence levels. The data is abstracted and curated from the primary scientific literature, and cover a significant fraction of the SAR and discovery of modern drugs. Additional data on clinical progress of compounds is being integrated into ChEMBL at the current time.

The most recent version of ChEMBL that is has been deposited in ChemSpider is ChEMBL20.


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European Bioinformatics Institute  

 

 

 


 

 

 

 

United Kingdom 

Biological Properties
Metabolic Pathways
Information Aggregators



 

http://linkedchemistry.info/void.ttl#chemblrdf_compounds  

 

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