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Category:Resource:ChEMBLdb
Abbrev ChEMBL  +
CurationStatus curated  +
DefiningCitation https://www.ebi.ac.uk/chembl/  +
Definition Database of bioactive drug-like small mole 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). The data is abstracted and curated from the primary scientific literature, and cover a significant fraction of the SAR and discovery of modern drugs. They attempt to normalize 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. Users can retrieve data from the ChEMBL database in a programmatic fashion via the ChEMBL web service API or an ftpsite is available for several projects. ftpsite is available for several projects.
ExampleImage ChEMBL.PNG +
Has default formThis property is a special property in this wiki. Resource  +
Has role Database +
Id nlx_54579  +
Is part of Resource:European Bioinformatics Institute +
Keywords Drug discovery +, Small molecule +, Drug +, Compound +, Protein +, Protein target +, Assay +, Target +, Web service +, Gold standard or authority +, Data set +, Interaction +, Small molecule-protein +
Label Resource:ChEMBLdb  +
Latitude 52.079137 +
Longitude 0.187583 +
Modification dateThis property is a special property in this wiki. 7 February 2014 22:37:00  +
ModifiedDate 7 February 2014  +
Page has default formThis property is a special property in this wiki. Resource  +
RelatedTo Resource:NIF Data Federation +, Resource:3DVC +, Resource:OMICtools +
SuperCategory Resource  +
Supporting Agency Wellcome Trust +, EMBL Member States +, European Union +, (Innovative Medicines Initiative +, Framework 7) +
Synonym ChEMBL database  +
Twitter Chembl  +
Categories Resource
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Resource:Open PHACTS +, Resource:PSICQUIC Registry + RelatedTo
 

 

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