A new ChEMBL dataset for the similarity-based target fishing engine FastTargetPred: Annotation of an exhaustive list of linear tetrapeptides.

Drug discovery Peptide Target prediction Virtual screening

Journal

Data in brief
ISSN: 2352-3409
Titre abrégé: Data Brief
Pays: Netherlands
ID NLM: 101654995

Informations de publication

Date de publication:
Jun 2022
Historique:
received: 09 02 2022
revised: 31 03 2022
accepted: 05 04 2022
entrez: 2 5 2022
pubmed: 3 5 2022
medline: 3 5 2022
Statut: epublish

Résumé

Drug discovery often requires the identification of off-targets as the binding of a compound to targets other than the intended target(s) can be beneficial in some cases or detrimental in other situations (e.g., binding to anti-targets). Such investigations are also of importance during the early stage of a project, for example when the target is not known (e.g., phenotypic screening). Target identification can be performed

Identifiants

pubmed: 35496477
doi: 10.1016/j.dib.2022.108159
pii: S2352-3409(22)00363-8
pmc: PMC9046614
doi:

Types de publication

Journal Article

Langues

eng

Pagination

108159

Informations de copyright

© 2022 The Authors.

Déclaration de conflit d'intérêts

The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.

Références

J Med Chem. 2010 Apr 8;53(7):2719-40
pubmed: 20131845
Data Brief. 2019 Oct 04;27:104607
pubmed: 31656840
J Chem Inf Model. 2016 Dec 27;56(12):2292-2297
pubmed: 28024397
Nucleic Acids Res. 2022 Jan 7;50(D1):D687-D692
pubmed: 34788843
Nucleic Acids Res. 2019 Jan 8;47(D1):D930-D940
pubmed: 30398643
J Cheminform. 2011 Oct 07;3:33
pubmed: 21982300
J Chem Inf Model. 2015 Feb 23;55(2):460-73
pubmed: 25558886
Int J Mol Sci. 2020 May 19;21(10):
pubmed: 32438666
Nucleic Acids Res. 2018 Jan 4;46(D1):D1074-D1082
pubmed: 29126136
J Med Chem. 2018 Feb 8;61(3):1276-1284
pubmed: 29328660
Bioinformatics. 2020 Aug 15;36(14):4225-4226
pubmed: 32399567
Methods. 2015 Jan;71:98-103
pubmed: 25277948
J Chem Inf Model. 2017 Mar 27;57(3):417-427
pubmed: 28165734
Nat Genet. 2000 May;25(1):25-9
pubmed: 10802651
Brief Bioinform. 2021 Mar 22;22(2):1790-1818
pubmed: 32187356
Drug Discov Today. 2017 Aug;22(8):1131-1133
pubmed: 28676405
Nucleic Acids Res. 2021 Jan 8;49(D1):D480-D489
pubmed: 33237286

Auteurs

Shivalika Tanwar (S)

Inserm UMR 1141 NeuroDiderot, Robert-Debré Hospital, Université de Paris, Paris 75019, France.

Patrick Auberger (P)

Université Côte d'azur, Nice, France.
Inserm U1065, C3M, Team 2, Nice, France.

Germain Gillet (G)

Center de Recherche en Cancérologie de Lyon, U1052 INSERM, UMR CNRS 5286, Université de Lyon, Université Lyon I, Center Léon Bérard, 28 rue Laennec, Lyon 69008, France.

Mario DiPaola (M)

Akttyva Therapeutics, Inc., MA, Mansfield, USA.

Katya Tsaioun (K)

Akttyva Therapeutics, Inc., MA, Mansfield, USA.
Johns Hopkins Bloomberg School of Public Health, MD, Baltimore, USA.

Bruno O Villoutreix (BO)

Inserm UMR 1141 NeuroDiderot, Robert-Debré Hospital, Université de Paris, Paris 75019, France.
Center de Recherche en Cancérologie de Lyon, U1052 INSERM, UMR CNRS 5286, Université de Lyon, Université Lyon I, Center Léon Bérard, 28 rue Laennec, Lyon 69008, France.

Classifications MeSH