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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.
chemical database substances CAS Search; suppliers "Chemindex". Clival Database Clinical Trail Database Clinical Trail Data Solutions 50,000 molecules clinical trail data Phase 0 to IV indications "clival". CMNPD Comprehensive Marine Natural Products Database Peking University: from literature and other databases structural classification; species
Version 3.0 also included drug transporter data, drug pathway data, drug pricing, patent and manufacturing data as well as data on >5000 experimental drugs. Version 4.0 was released in 2014. [ 4 ] This version included 1558 FDA-approved small molecule drugs, 155 biotech drugs and 4200 unique drug targets.
Collaborative Drug Discovery (CDD) is a software company founded in 2004 as a spin-out of Eli Lilly by Barry Bunin, PhD. CDD utilizes a web-based database solution for managing drug discovery data, primarily through the CDD Vault product which is focused around small molecules and associated bio-assay data.
Molecular Operating Environment (MOE) is a drug discovery software platform that integrates visualization, modeling and simulations, as well as methodology development, in one package. MOE scientific applications are used by biologists, medicinal chemists and computational chemists in pharmaceutical, biotechnology and academic research.
The process of drug discovery is divided into ten work packages, namely [21] WP1 - Drug target identification. This promotes computational activities including Systems Biology research for identification of potential drug targets. It opens participation of academia, institutions and industries with strong inclination towards open source.
TDR Targets: a chemogenomics database focused on drug discovery in tropical diseases; TRANSFAC: a database about eukaryotic transcription factors, their genomic binding sites and DNA-binding profiles; JASPAR: a database of manually curated, non-redundant transcription factor binding profiles.
The METLIN database is implemented in the cloud to enable users throughout the world. [ 7 ] [ 12 ] In addition to expanding the tandem mass spectrometry database, METLIN is designed to search tandem mass spectrometry data, precursor mass, chemical formulas, compound names among other search capabilities.