What is ChEMBL used for?
ChEMBL is an Open Data database containing binding, functional and ADMET information for a large number of drug-like bioactive compounds.
What does ChEMBL stand for?
European Molecular Biology Laboratory Laboratory
European Molecular Biology Laboratory. Laboratory. European Bioinformatics Institute. Authors. Andrew Leach, Team Leader 2016-Present; John Overington, Team Leader 2008-2015.
How do you reference a ChEMBL?
The publications used to cite ChEMBL are: (2017) ‘The ChEMBL database in 2017. ‘ Nucleic Acids Res., 45(D1) D945-D954. ChEMBL Web Services: Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP.
How do I download a SDF file from ChEMBL?
You can do this in ChEMBL using the recent web interface. On a document report card, scroll down until “Compound summary”, then click on “Associated compounds for document blablaba”. It opens a page with all the compounds. Click on SDF (button upper right) and it will download a sdf file with all the compounds.
How many molecules are in a ChEMBL?
The database (Figure 1) is unique because of its focus on all aspects of drug discovery and its size, containing information on more than 1.8 million compounds and over 15 million records of their effects on biological systems.
What is ChEMBL dataset?
ChEMBL is a manually curated database of bioactive molecules with drug-like properties. It brings together chemical, bioactivity and genomic data to aid the translation of genomic information into effective new drugs.
How many molecules are in a Chembl?
What is bioactivity data?
The bioactivity databases can be used to search for possible targets of a new hit, in case a target is not known, or to identify promiscuous molecules that often occur as hits in screening campaigns. In addition, the bioactivity data of similar molecules can be analyzed simultaneously.
How do I get data from ChEMBL?
You can get access to the data in the ChEMBL database in a number of different ways (Figure 5):…Accessing ChEMBL data
- Using our website.
- Via our Web Services.
- Downloading the whole database in a number of different formats.
- Via the EBI RDF PLatform.