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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.
drugs and targets "TDR Targets". 2,000,000 TTD Therapeutic Targets Database Zhejiang University: drugs and targets SMILES InChI CAS PubChem "TTD". 37,316 T3DB Toxin and Toxin-Target Database Toxic Exposome Database. University of Alberta: toxins and toxin targets T3D "T3DB". 3,678 UniChem EMBL-EBI pointers to existing chemicals; indexes 41 ...
Erowid and The Multidisciplinary Association for Psychedelic Studies collaborated on two large reference database projects. Erowid has provided expertise and work developing and coordinating the construction of an online psychoactive drug reference library, and MAPS has published a similar collection [33]
This greatly expanded and improved version of the database included 1344 approved small molecule drugs and 123 biotech drugs as well as 3037 unique drug targets. Version 2.0 also included, for the first time, withdrawn drugs and illicit drugs , extensive food-drug and drug-drug interactions as well as ADMET (absorption, distribution, metabolism ...
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 .
Therapeutic Target Database (TTD) is a pharmaceutical and medical repository [1] constructed by the Innovative Drug Research and Bioinformatics Group (IDRB) at Zhejiang University, China and the Bioinformatics and Drug Design Group at the National University of Singapore.
KEGG (Kyoto Encyclopedia of Genes and Genomes) is a collection of databases dealing with genomes, biological pathways, diseases, drugs, and chemical substances.KEGG is utilized for bioinformatics research and education, including data analysis in genomics, metagenomics, metabolomics and other omics studies, modeling and simulation in systems biology, and translational research in drug development.
The Hazardous Substances Data Bank (HSDB) was a toxicology database on the U.S. National Library of Medicine's (NLM) Toxicology Data Network (TOXNET). [2] [3] It focused on the toxicology of potentially hazardous chemicals, and included information on human exposure, industrial hygiene, emergency handling procedures, environmental fate, regulatory requirements, and related areas.