Fragment-based drug discovery

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Unknown (595)
Proteomics (270)
Metabolomics (12)
Transcriptomics (8)
Models (1)
Genomic (1)
Genomics (1)

Organisms

Allexis (266)
Arabidopsis thaliana (266)
Callinectes sapidus (266)
Danio rerio (266)
Drosophila (266)
Drosophila melanogaster (266)
Entamoeba histolytica (266)
Entamoeba histolytica HM-1:IMSS-A (266)
Escherichia coli (266)
Homo sapiens (266)
Leishmania major strain Friedlin (266)
Listeria monocytogenes (266)
Medicago truncatula (266)
Meleagris gallopavo (266)
Methylohalobius crimeensis 10Ki (266)
Mus musculus (266)
Mycobacterium tuberculosis (266)
Oryza sativa Indica Group (266)
Physcomitrium patens (266)
Pseudomonas fluorescens WH6 (266)
Rattus norvegicus (266)
Saccharomyces cerevisiae (266)
Schizosaccharomyces pombe (266)
Schizosaccharomyces pombe 972h- (266)
Sinorhizobium meliloti BL225C (266)
Solanum tuberosum (266)
Homo sapiens (5)
Mus musculus (3)
Yersinia pseudotuberculosis (1)
Sus scrofa (1)

Repository

pride (266)
MetaboLights (12)
biostudies-arrayexpress (8)
MassIVE (2)
BioModels (1)
dbGaP (1)
iProX (1)
jPOST (1)
ENA (1)

Tissue

Cell culture (69)
Blood (16)
Epithelial cell (15)
Blood cell (14)
Erythrocyte (11)
Blood plasma (10)
Permanent cell line cell (10)
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Colon (5)
Hepatocyte (5)
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Embryonic stem cell (2)
Extracellular vesicle (2)
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Macrophage (2)
T cell (2)

Disease

Plasmodium falciparum malaria (20)
Malignant neoplasm of ovary (12)
Acute leukemia (10)
Breast cancer (10)
Colon cancer (6)
Lung adenocarcinoma (5)
Disease free (4)
Cardiovascular system disease (3)
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Rectum cancer (3)
Lymphoma (2)
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Prostate adenocarcinoma (2)
Skin melanoma (2)
Wounds and Injuries (2)
Acute myeloid leukemia (1)
Ampulla of Vater cancer (1)
Bacterial infectious disease (1)
Beta thalassemia (1)
Bladder transitional cell carcinoma (1)
Bone cancer (1)
Brain cancer (1)
COVID-19 (1)
Colorectal carcinoma (1)
Duchenne muscular dystrophy (1)
Endometrial cancer (1)
Giardiasis (1)
Parkinson's disease (1)
Plasmodium vivax malaria (1)

Technology Type

Mass Spectrometry (266)
Shotgun proteomics (134)
Data-dependent acquisition (72)
Bottom-up proteomics (56)
Affinity purification coupled with mass spectrometry proteomics (16)
Data-independent acquisition (16)
SWATH MS (11)
Top-down proteomics (11)
Mass spectrometry (10)
Gel-based experiment (6)
Chemical cross-linking coupled with mass spectrometry proteomics (3)
Mass spectrometry assay (2)
Metaproteomics (2)
SRM/MRM (2)
All-ion fragmentation (1)
DiaPASEF (1)

Instrument Platform

Liquid Chromatography MS - positive - reverse phase (6)
Liquid Chromatography MS - negative - reverse phase (6)
Illumina NovaSeq 6000 (2)
Orbitrap Fusion (2)
Liquid Chromatography MS - negative - hilic (2)
Liquid Chromatography MS - positive - hilic (2)
Orbitrap Fusion Lumos (1)
Liquid Chromatography MS - Positive (LC-MS (Positive)) (1)
Liquid Chromatography MS - (1)
Liquid Chromatography MS - positive - reverse-phase (1)
Liquid Chromatography MS - negative - reverse-phase (1)

Publication Date

2025 (61)
2024 (51)
2022 (35)
2023 (31)
2021 (23)
2026 (21)
2020 (16)
2018 (13)
2017 (10)
2016 (9)
2019 (8)
2015 (5)
2014 (4)
2010 (2)
2004 (1)

CHEBI ID

CHEBI:64566 (3)
CHEBI:64561 (3)
CHEBI:18237 (3)
CHEBI:28044 (3)
CHEBI:116314 (3)
CHEBI:16411 (3)
CHEBI:27897 (3)
CHEBI:72734 (3)
CHEBI:64569 (3)
CHEBI:64563 (3)
CHEBI:17368 (3)
CHEBI:183132 (2)
CHEBI:67060 (2)
CHEBI:73853 (2)
CHEBI:46245 (2)
CHEBI:138532 (2)
CHEBI:136141 (2)
CHEBI:132559 (2)
CHEBI:67054 (2)
CHEBI:145255 (2)
CHEBI:60568 (2)
CHEBI:91312 (2)
CHEBI:67057 (2)
CHEBI:74349 (2)
CHEBI:136085 (2)
CHEBI:72736 (2)
CHEBI:67058 (2)
CHEBI:131993 (2)
CHEBI:72735 (2)
CHEBI:64559 (2)

Metabolite Name

4-Aminobenzoic acid (2)
Acetanilide (2)
N6,N6,N6-Trimethyl-L-lysine (2)
Acetophenone (2)
Ursodeoxycholic acid (2)
Thymine (2)
Pilocarpine (2)
Tryptamine (2)
Eicosapentaenoic acid (2)
Serotonin (2)
Dihydrothymine (2)
DL-Tryptophan (2)
Nicotinamide (2)
5-Hydroxytryptophol (2)
Cholic acid (2)
Arachidonic acid (2)
Sebacic acid (2)
Val-Ser (2)
Tetradecanedioic acid (2)
Linoleic acid (2)
Isoleucine (2)
Adipic acid (2)
Astaxanthin (2)
L-Tyrosine (2)
L-Phenylalanine (2)
Hypoxanthine (2)
Otophylloside B (1)
13-(Z)-Docosenamide (1)
9-(Z)-Octadecenamide (1)
Leukotriene E4 methyl ester* (1)

IsPrivate

False (1)

Submitter Keywords

Ersilia (1)
FAIR-AIML (1)
Machine Learning Model (1)

First Public Date

2023 (1)

Modelling Approach

Regression method (1)

Modification

4-tetrahydrothiazine-3-carboxylic acid (1)

Study type

Transcription profiling by array (3)
Comparative genomic hybridization by array (2)
Unknown experiment type (1)
RNA-seq of non coding RNA from single cells (1)
RNA-seq of coding RNA (1)

Release Date

2022 (68)
2024 (58)
2023 (55)
2025 (52)
2021 (52)
2020 (49)
2018 (41)
2019 (35)
2015 (31)
2016 (30)
2013 (25)
2017 (22)
2014 (21)
2010 (14)
2012 (14)
2026 (11)
2009 (10)
2011 (9)
2008 (3)
2004 (1)
2007 (1)
1999 (1)

Lab affiliation

iBET – Instituto de Biologia Experimental e Tecnológica, Av. da República, Oeiras, 2780-157, Portugal (14)
School of Biological Sciences, Nanyang Technological University, Singapore (10)
School of Biological Sciences, Nanyang Technological University (9)
Cellzome (6)
Chair of Proteomics and Bioanalytics, Technische Universität München, Germany (3)
Department of Cancer Biology, Dana-Farber Cancer Institute, Boston, MA 02215, USA., Department of Biological Chemistry and Molecular Pharmacology, Harvard Medical School, Boston, MA 02115, USA (3)
Department of Chemistry, The Scripps Research Institute, La Jolla, CA, USA (3)
Functional Proteomics, ICR (3)
BK21 FOUR Community-Based Intelligent Novel Drug Discovery Education Unit, College of Pharmacy and Research Institute of Pharmaceutical Sciences, Kyungpook National University, Daegu 41566, Republic of Korea (2)
Cancer Biology Department, Fox Chase Cancer Center, Philadelphia, PA, USA (2)
Computational and Experimental Biology Group NOVA MEDICAL SCHOOL / FACULDADE DE CIÊNCIAS MÉDICAS UNIVERSIDADE NOVA DE LISBOA Rua Câmara Pestana, 6-6A | 1150-082 Lisboa Portugal (2)
Department of Biochemistry and Structural Biology and Center for Innovative Drug Discovery School of Medicine, University of Texas Health Science Center at San Antonio, 7703 Floyd Curl Drive, San Antonio, TX 78229, United States (2)
Department of Modeling of Biological Processes COS, Heidelberg University (2)
Department of Systems Pharmacology and Translational Therapeutics, Perelman School of Medicine, University of Pennsylvania, Philadelphia, PA 19104, USA (2)
Drug Discovery Moffitt Cancer Center Tampa, FL, USA (2)
Elson S. Floyd College of Medicine, Washington State University Spokane (2)
Faculty of Medicine, University of Ottawa, Ottawa, ON Canada (2)
LEO Foundation Center for Cutaneous Drug Delivery Department of Pharmacy University of Copenhagen Denmark (2)
Mass Spectrometry/Proteomics Facility, Netherlands Cancer Institute, Amsterdam, Netherlands. (2)
Monash Institute of Pharmaceutical Sciences, Monash University, Melbourne, Australia (2)
., Department of Laboratory Medicine, Medical University of Vienna, 18-20 Währinger Gürtel, 1090 Vienna, Austria (1)
1Center for Medical Genetics, Ghent University Hospital, Ghent, 9000, Belgium 2Department of Biomolecular Medicine, Faculty of Medicine and Health Sciences, Ghent (1)
1Lineberger Comprehensive Cancer Center, University of North Carolina at Chapel Hill School of Medicine, Chapel Hill, NC 27599, USA. 2Department of Biochemistry and Biophysics, University of North Carolina at Chapel Hill School of Medicine, Chapel Hill, NC 27599, USA. 3Biological and Biomedical Sciences Program, University of North Carolina at Chapel Hill, Chapel Hill, NC 27599, USA. (1)
1School of Biomedical Sciences and Pharmacy, College of Health, Medicine and Wellbeing, University of Newcastle, NSW, 2308, Australia 2 Precision Medicine Research Program, Hunter Medical Research Institute, New Lambton Heights, NSW, 2305, Australia (1)
Alzheimer’s Research UK UCL Drug Discovery Institute, University College London, Cruciform Building, Gower Street, London, WC1E 6BT, U.K. (1)
Associate Professor Director of Proteomics and Mass Spectrometry Facility School of Biological Sciences Nanyang Technological University 60 Nanyang Drive, Singapore 637551 Tel: (65) 6514-1006; Fax: (65) 6791-3856 Email: sksze@ntu.edu.sg Web: http://proteomics.sbs.ntu.edu.sg/ (1)
Associate Professor of Biochemistry & Molecular Biology, Director Proteomics Core, Indiana University School of Medicine (1)
Associate Professor of Pharmacology Dept of Medical Biotechnology and Translational Medicine Università degli Studi di Milano (1)
Associate Professor, Centre for Biosystems Science and Engineering, IISC Bangalore, India (1)
Biomolecular Mass Spectrometry and Proteomics, Bijvoet Center for Biomolecular Research and Utrecht Institute for Pharmaceutical Sciences, Utrecht University, Padualaan 8, 3584 CH Utrecht, the Netherlands. Netherlands Proteomics Centre, Padualaan 8, 3584 CH Utrecht, the Netherlands (1)

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