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