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ChEMBL or ChEMBLdb is a manually curated chemical database of bioactive molecules with drug inducing properties. [1] It is maintained by the European Bioinformatics Institute (EBI), of the European Molecular Biology Laboratory (), based at the Wellcome Trust Genome Campus, Hinxton, UK.
Benzylisoquinoline Alkaloid Database "BIAdb". 846 BindingDB The Binding Database Skaggs School of Pharmacy and Pharmaceutical Sciences at the University of California, San Diego noncovalent association of molecules in solution ChEMBL SMILES InChiKey targets "BindingDB". BindingMOAD Binding Mother of All Databases protein ligand structures
A chemical database is a database specifically designed to store chemical information. This information is about chemical and crystal structures , spectra, reactions and syntheses, and thermophysical data.
ChEMBL Database version 33 record biological activities for 2,431,025 distinct molecules. [ 9 ] [ 10 ] Chemical libraries used for laboratory-based screening for compounds with desired properties are examples for real-world chemical libraries of small size (a few hundred to hundreds of thousands of molecules).
All data in the database is non-proprietary or is derived from a non-proprietary source. It is thus freely accessible and available to anyone. In addition, each data item is fully traceable and explicitly referenced to the original source. It is related in scope other databases such as ChEMBL, ChemSpider, DrugBank, MetaboLights and PubChem.
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The ZINC database (recursive acronym: ZINC is not commercial) is a curated collection of commercially available chemical compounds prepared especially for virtual screening. ZINC is used by investigators (generally people with training as biologists or chemists ) in pharmaceutical companies , biotechnology companies , and research universities .
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