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Supertarget specifications

Information


Unique identifier OMICS_02780
Name Supertarget
Restrictions to use None
Content license CC Attribution
Maintained Yes

Maintainer


  • person_outline Robert Preissner

Publications for Supertarget

Supertarget citations

 (10)
library_books

Docking based inverse virtual screening: methods, applications, and challenges

2018
Biophysics Rep
PMCID: 5860130
PMID: 29577065
DOI: 10.1007/s41048-017-0045-8

[…] datasets can be either directly derived from a protein–ligand complex structure database like sc-PDB, or constructed by collecting information from publically accessible drug–target databases such as SuperTarget (Günther et al. ), BindingDB (Liu et al. ), and DrugBank (Wishart et al. ), as listed in Table . It should be noted that information in the later databases is redundant. The 3D structures […]

library_books

Drug repurposing in idiopathic pulmonary fibrosis filtered by a bioinformatics derived composite score

2017
Sci Rep
PMCID: 5626774
PMID: 28974751
DOI: 10.1038/s41598-017-12849-8

[…] 3 datasets of the same stage analysis of the disease. We then found the genes contained in each pathway as well as the genes targeted by the resulted repurposed drugs. Drug gene targets were found in SuperTarget and DrugBank–. SuperTarget contains a database of information on about 332828 drug-target interactions and DrugBank is another database containing bioinformatics and cheminformatics detail […]

library_books

In silico prediction of drug target interaction networks based on drug chemical structure and protein sequences

2017
Sci Rep
PMCID: 5593914
PMID: 28894115
DOI: 10.1038/s41598-017-10724-0

[…] . With the rapid increasing amount of available knowledge in biology and chemistry, a number of publicly available databases focusing on drug–target relations have been constructed, such as DrugBank, SuperTarget and Matador, Kyoto Encyclopedia of Genes and Genomes (KEGG), Therapeutic Target Database (TTD). These databases contain a small amount of experimentally validated interactions which are cr […]

library_books

Computational and Pharmacological Target of Neurovascular Unit for Drug Design and Delivery

2015
Biomed Res Int
PMCID: 4633536
PMID: 26579539
DOI: 10.1155/2015/731292

[…] tion called cloud computing. Several drug target databases are available online. DrugBank is a comprehensive drug information database that works based on bioinformatics and chemoinformatics data []. SuperTarget is a 2D drug screening and sequence comparison database for the extensive drug target []. Search Tool for Interactions of Chemicals (STITCH) and Ingenuity Pathway Analysis (IPA) are the se […]

library_books

2D and 3D similarity landscape analysis identifies PARP as a novel off target for the drug Vatalanib

2015
BMC Bioinformatics
PMCID: 4582733
PMID: 26403354
DOI: 10.1186/s12859-015-0730-x

[…] of compounds, i.e. inhibitors []. For many of these inhibitors the half-maximal inhibitory concentration (IC50), effective concentration (EC50), or dissociation constant (Kd) values are listed in the SuperTarget database. These known affinities of the inhibitors were the basis of our filter algorithm and, to avoid unwanted and therefore incomputable off-target effects, only interactions described […]

library_books

Determining similarity of scientific entities in annotation datasets

2015
PMCID: 4343076
PMID: 25725057
DOI: 10.1093/database/bau123

[…] the experimental study reported by Hao Ding et al. (). The dataset comprises four subsets of nuclear receptors, GPCRs, ion channels and enzymes; this data are obtained from KEGG BRITE (), BRENDA (), SuperTarget () and DrugBank (). Pairs of drugs are associated with similarity computed from the chemical structures of drugs [obtained from KEGG LIGAND ()] by using SIMCOMP (). Target similarity corre […]

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Supertarget institution(s)
Structural Bioinformatics Group, Institute of Molecular Biology and Bioinformatics, Charité-University Medicine Berlin, Berlin, Germany

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