Chemical biology databases

ChEMBL

Description
ChEMBL is a database of bioactive drug-like small molecules, it contains 2D structures, calculated properties and abstracted bioactivities (e.g. binding constants, pharmacology and ADMET data). The data is abstracted and curated from the primary scientific literature, and covers a significant fraction of the SAR and discovery of modern drugs.

Service provider
EMBL-EBI Chemogenomics (ChEMBL) Group

Location
Hinxton, UK

Contacts
Scientific contact: Anne Hersey, Andrew Leach 
Technical contact: Nicolas Bosc, Aldo Segura-Cabrera

SureChEMBL

Description
SureChEMBL is a chemically annotated patent database which give information about compounds in patents.

Service provider
EMBL-EBI Chemogenomics (ChEMBL) Group

Location
Hinxton, UK

Contacts
Scientific contact: Anne Hersey, Andrew Leach 
Technical contact: Nicolas Bosc, Aldo Segura-Cabrera

UniChem

Description
UniChem is a large-scale database of pointers between >137 million chemical structures in 28 different databases both internal and external to EMBL-EBI.

Service provider
EMBL-EBI Chemogenomics (ChEMBL) Group

Location
Hinxton, UK

Contacts
Scientific contact: Anne Hersey, Andrew Leach 
Technical contact: Nicolas Bosc, Aldo Segura-Cabrera

 

 

 

 

 

 

This project receives funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No 654248.

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