ChEMBL statistics

Tool stats & trends

Looking to identify usage trends or leading experts?

Protocols

ChEMBL specifications

Information


Unique identifier OMICS_02731
Name ChEMBL
Alternative name ChEMBLdb
Restrictions to use None
Community driven No
Data access Browse
User data submission Not allowed
Version 24_1
Maintained Yes
Wikipedia https://en.wikipedia.org/wiki/ChEMBL

Maintainers


  • person_outline John P. Overington
  • person_outline Andrew Leach

Publications for ChEMBL

ChEMBL citations

 (215)
library_books

Screening for the anti inflammation quality markers of Xiaojin Pills based on HPLC MS/MS method, COX 2 inhibition test and protein interaction network

2018
Sci Rep
PMCID: 5945850
PMID: 29748583
DOI: 10.1038/s41598-018-25582-7

[…] date components were derived from STITCH (http://stitch.em-bl.de/), BATMAN-TCM (http://bionet.ncpsb.org/batman-tcm), TCMID (https://omictools.com/traditio), TCMSP (http://ibts.hkbu.edu.hk/LSP/tc) and ChEMBL (https://www.ebi.ac.uk/chembl/). STITCH database could generate a score for each component target relationship, which ones with high confidence data (score >0.7) was approved to ensure the reli […]

library_books

Circulating miRNAs as Putative Biomarkers of Exercise Adaptation in Endurance Horses

2018
Front Physiol
PMCID: 5928201
PMID: 29740341
DOI: 10.3389/fphys.2018.00429

[…] ein interaction (PPI) network and the PSIQUIC service (http://www.ebi.ac.uk/Tools/webservices/psicquic/view/home.xhtml) was used to download proteins interactions from six different public databases (ChEMBL, Spike, GeneMania, mentha, MINT, IntAct). These six networks were merged together in order to generate a unique PPI network with all the interactions. Only Homo sapiens interactions were used t […]

library_books

Novel water soluble lignin derivative BP Cx 1: identification of components and screening of potential targets in silico and in vitro

2018
Oncotarget
PMCID: 5915095
PMID: 29719628
DOI: 10.18632/oncotarget.24990

[…] Data processing was carried out using Python 2.7 scripts. Database management was carried out either in InstantJChem 17.2.6.0 [] or in DataWarrior 4.6.1. [].ChEMBL version 23 was used. 3748 formulae identified in FTICR mass spectrum () were extracted as described previously []. In brief, all CHO formulae for molecular weight range from 200 to 800 were gen […]

library_books

Opportunities and obstacles for deep learning in biology and medicine

2018
PMCID: 5938574
PMID: 29618526
DOI: 10.1098/rsif.2017.0387

[…] d by fine-tuning on ENCODE enhancer datasets improved cell-type-specific predictions, outperforming state-of-the-art results. In drug design, general RNN models trained to generate molecules from the ChEMBL database have been fine-tuned to produce drug-like compounds for specific targets [,].Related to transfer learning, multimodal learning assumes simultaneous learning from various types of input […]

library_books

A confidence predictor for logD using conformal regression and a support vector machine

2018
J Cheminform
PMCID: 5882484
PMID: 29616425
DOI: 10.1186/s13321-018-0271-1

[…] ChEMBL is an open, large-scale chemical database containing more than 1.7 million distinct compounds with bioactivity data extracted from the chemical literature and calculated molecular properties [] […]

library_books

Drug Repositioning in Glioblastoma: A Pathway Perspective

2018
Front Pharmacol
PMCID: 5864870
PMID: 29615902
DOI: 10.3389/fphar.2018.00218

[…] for drug repositioning, for example recently by March-Vila et al. (). Importantly, several well annotated databases of approved drugs and compounds in clinical trials are publicly available including ChEMBL (Bento et al., ), DrugBank (Wishart et al., ), and DrugCentral (Ursu et al., ).In contrast to mechanism- or target-based drug repurposing, system-wide perturbation response signatures can be us […]

Citations

Looking to check out a full list of citations?

ChEMBL institution(s)
European Molecular Biology Laboratory, European Bioinformatics Institute, Wellcome Genome Campus, Hinxton, UK; Open Targets, Wellcome Genome Campus, Hinxton, UK; Institute of Cardiovascular Science, University College London, London, UK
ChEMBL funding source(s)
Supported by a Strategic Award from the Wellcome Trust [WT104104/Z/14/Z]; the Member States of the European Molecular Biology Laboratory (EMBL); the National Institutes of Health (NIH) Common Fund under award number [U54CA189205]; the European Union Seventh Framework Programme (FP7/2007–2013) [602156]; the Innovative Medicines Initiative Joint Undertaking [115002]; and Open Targets.

ChEMBL review

star_border star_border star_border star_border star_border
star star star star star

Samuel Lampa

star_border star_border star_border star_border star_border
star star star star star
Dataset
This is one of the workhorses we rely on in our cheminformatics research. A solid and comprehensive database which is updated continuously.