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ChEMBL

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ChEMBL Statistics
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Compounds Targets Assays Documents Cells Tissues Exact Match Activity Source Filter

Please enter a search term

Selected Source Assay Counts Activity Counts
Scientific Literature10168915913066 (40.29%)
Open TG-GATEs158199158199 (1.08%)
DrugMatrix113678350929 (2.39%)
TP-search Transporter Database35926765 (0.05%)
PubChem BioAssays29377559601 (51.51%)
BindingDB Database186899039 (0.67%)
FDA Approval Packages13861387 (0.01%)
Patent Bioactivity Data113420941 (0.14%)
Sanger Institute Genomics of Drug Sensitivity in Cancer71473169 (0.5%)
Curated Drug Pharmacokinetic Data5191163 (0.01%)
GSK Published Kinase Inhibitor Set456169451 (1.15%)
Drugs for Neglected Diseases Initiative (DNDi)23314452 (0.1%)
MMV Malaria Box13845158 (0.31%)
MMV Pathogen Box823857 (0.03%)
Open Source Malaria Screening22344 (0%)
St Jude Malaria Screening165456 (0.04%)
WHO-TDR Malaria Screening165853 (0.04%)
GSK Tuberculosis Screening151814 (0.01%)
CO-ADD antimicrobial screening data15180 (0%)
AstraZeneca Deposited Data1511687 (0.08%)
GSK Kinetoplastid Screening137235 (0.05%)
Deposited Supplementary Bioactivity Data134817 (0.03%)
Curated Drug Metabolism Pathways1111 (0%)
Novartis Malaria Screening627888 (0.19%)
GSK Malaria Screening681198 (0.55%)
St Jude Leishmania Screening642105 (0.29%)
Harvard Malaria Screening4111 (0%)
Gates Library compound collection269444 (0.47%)
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Ligand Search   Target Search   Browse Targets   Browse Drugs   Browse Drug Targets   Browse Drug Indications   About    

ChEMBL is a database of bioactive drug-like small molecules, it contains 2-D structures, calculated properties (e.g. logP, Molecular Weight, Lipinski Parameters, etc.) and abstracted bioactivities (e.g. binding constants, pharmacology and ADMET data).

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The data is abstracted and curated from the primary scientific literature, and cover a significant fraction of the SAR and discovery of modern drugs

We attempt to normalise the bioactivities into a uniform set of end-points and units where possible, and also to tag the links between a molecular target and a published assay with a set of varying confidence levels. Additional data on clinical progress of compounds is being integrated into ChEMBL at the current time.

Getting Started

  • Search target data via keyword, protein sequence search (BLAST), or by navigating the target classification hierarchy.

  • Search compound data with lists of keywords, SMILES strings, compound identifiers, or by drawing the chemical structure.

  • Search assay data via keyword search using the main search bar.

Support and Feedback

We positively encourage feedback on the interface and search capabilities, since this will shape our future development.

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We also very actively encourage the identification and reporting of errors in the data, and we will endeavour to fix these in the underlying data. As we develop full documentation, please feel free to mail us for general queries

Staying in Touch

To keep up to date with ChEMBL news and data releases subscribe to the Chembl-announce mailing list.

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To keep up to date with the group's interests, new drug approvals, data analysis and conferences, visit the group blog.

Training

The group run a series of webinars detailing the interface and schema. Visit or subscribe to the RSS feed of the group blog for details and announcements. Users are very strongly recommended to try and participate in one of these webinars prior to attempting SQL querying of the data. We are delighted to provide local training on ChEMBL depending on our availability and reimbursement of travel and accommodation costs where needed.

Data Licensing

Access to the web interface of ChEMBL is made under the EBI's Terms of Use. The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License.

Creative Commons License

Acknowledgements

Many people have contributed to the ChEMBL project over time, employees of Inpharmatica, comrades at the EMBL-EBI, in particular the ChEBI and INTACT teams, and also some external helpers.

Cite Us

If you would like to cite ChEMBL please refer to the following FAQ. You may also use a DOI to reference a specific release of the ChEMBL database, please refer to the Downloads page for a complete list of ChEMBL release DOIs.

Privacy Policy

Data submitted through this website will never be shared with any other third parties, and we do not store or analyse user generated queries entered into the interface. We reserve the right to use information about visitors (IP addresses), date/time visited, page visited, referring website, etc. for site usage statistics and to improve our services.

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