☆ 4.4 Article

Will the chemical probes please stand up?

RSC MEDICINAL CHEMISTRY (2021)

相关参考文献

注意：仅列出部分参考文献，下载原文获取全部文献信息。

Article Biochemistry & Molecular Biology

PROTAC-DB: an online database of PROTACs

Gaoqi Weng et al.

Summary: PROTACs, a novel therapeutic technology that selectively degrades targeted proteins, has achieved significant progress with two PROTACs in phase I clinical trials. However, the design of PROTACs remains challenging. PROTAC-DB, a web-based database, integrates structural information and experimental data of PROTACs, providing convenient querying and filtering tools for researchers.

NUCLEIC ACIDS RESEARCH (2021)

添加到收藏夹

Article Biochemistry & Molecular Biology

CovalentInDB: a comprehensive database facilitating the discovery of covalent inhibitors

Hongyan Du et al.

Summary: Covalent inhibitors, once considered highly adventurous, have seen increased attention in design and discovery due to clinical validation and approval in the past decade. The Covalent Inhibitor Database (CovalentInDB) presented in this study is the largest online resource providing structural information and experimental data for covalent inhibitors. With 4511 inhibitors for 280 protein targets, including 68 approved drugs, the database also offers crystal structures and experimental verification methods for each inhibitor. Users can download high-quality datasets for evaluating and developing computational methods for covalent drug design.

NUCLEIC ACIDS RESEARCH (2021)

添加到收藏夹

Article Biochemistry & Molecular Biology

The Kinase Chemogenomic Set (KCGS): An Open Science Resource for Kinase Vulnerability Identification

Carrow I. Wells et al.

Summary: The chemogenomic set of protein kinase inhibitors described in this study is a valuable open science resource for studying kinase biology, consisting of 187 inhibitors that target 215 human kinases. It is highly annotated and selective, making it a useful tool for researchers in cell-based screens.

INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES (2021)

添加到收藏夹

Article Biochemistry & Molecular Biology

The Promise and Peril of Chemical Probe Negative Controls

Jinyoung Lee et al.

Summary: The study compared the selectivity profiles of four chemical probes and their respective negative controls, finding that chemical modifications neutralizing the charge can result in up to 80% of known off-targets being inactive against the control. Careful selection of negative controls for chemical probes is emphasized, and it is best practice to verify that two unrelated chemical probes targeting the same protein elicit the same phenotype.

ACS CHEMICAL BIOLOGY (2021)

添加到收藏夹

Article Chemistry, Multidisciplinary

InChI version 1.06: now more than 99.99% reliable

Jonathan M. Goodman et al.

Summary: The software for the IUPAC Chemical Identifier, InChI, is highly reliable and has been upgraded to version 1.06 with significant new features including support for pseudo-element atoms and improved description of polymers. Research results show that the accuracy of version 1.05 was 99.996% and version 1.06 represents a step closer to perfection, with few applications needing changes as a result of the upgrade.

JOURNAL OF CHEMINFORMATICS (2021)

添加到收藏夹

Review Biochemistry & Molecular Biology

Nuisance compounds in cellular assays

Jayme L. Dahlin et al.

Summary: Nuisance compounds, which can waste resources and erode scientific trust, are a major obstacle in realizing the full potential of chemical biology. Understanding and addressing these compounds in complex cell-based assays is essential for efficient drug discovery and research.

CELL CHEMICAL BIOLOGY (2021)

添加到收藏夹

Article Biochemistry & Molecular Biology

DrugCentral 2021 supports drug discovery and repositioning

Sorin Avram et al.

Summary: DrugCentral is a public resource that offers up-to-date drug information, including newly approved drug ingredients, molecular entities related to COVID19, pharmacokinetic properties of drugs, sex-based separation of side effects, drug repositioning prioritization scheme, and machine learning platform for estimating anti-SARS-CoV-2 activities. Additionally, it provides a feature called 'drugs in news' for listing the most interesting drugs at the present moment.

NUCLEIC ACIDS RESEARCH (2021)

添加到收藏夹

Article Biochemistry & Molecular Biology

PubChem in 2021: new data content and improved web interfaces

Sunghwan Kim et al.

Summary: PubChem, a popular chemical information resource, has made substantial improvements in the past two years by adding data from over 100 new sources, updating its homepage and record pages, introducing new services like the Periodic Table and Pathway pages, and creating a special data collection related to COVID-19 and SARS-CoV-2 in response to the pandemic.

NUCLEIC ACIDS RESEARCH (2021)

添加到收藏夹

Article Biochemistry & Molecular Biology

TCRD and Pharos 2021: mining the human proteome for disease biology

Timothy K. Sheils et al.

Summary: The NIH's IDG program aims to study poorly characterized proteins that can be modulated using small molecules or biologics. The program has produced the Target Central Resource Database (TCRD) and Pharos, which aggregate data from multiple sources and rank targets based on data availability, in machine learning ready format. Integrated data include protein interactions, disease associations, and gene signatures, among others, enabling new visualizations and sections to empower users in exploring the druggable genome.

NUCLEIC ACIDS RESEARCH (2021)

添加到收藏夹

Review Chemistry, Organic

Opening up connectivity between documents, structures and bioactivity

Christopher Southan

BEILSTEIN JOURNAL OF ORGANIC CHEMISTRY (2020)

添加到收藏夹

Article Chemistry, Multidisciplinary

An open source chemical structure curation pipeline using RDKit

A. Patricia Bento et al.

JOURNAL OF CHEMINFORMATICS (2020)

添加到收藏夹

Article Biochemistry & Molecular Biology

Systematic Chemogenetic Library Assembly

Stephen M. Canham et al.

CELL CHEMICAL BIOLOGY (2020)

添加到收藏夹

Letter Biotechnology & Applied Microbiology

FAIRsharing as a community approach to standards, repositories and policies

Susanna-Assunta Sansone et al.

NATURE BIOTECHNOLOGY (2019)

添加到收藏夹

Article Multidisciplinary Sciences

A chemical toolbox for the study of bromodomains and epigenetic signaling

Qin Wu et al.

NATURE COMMUNICATIONS (2019)

添加到收藏夹

Review Pharmacology & Pharmacy

Target 2035: probing the human proteome

Adrian J. Carter et al.

DRUG DISCOVERY TODAY (2019)

添加到收藏夹

Article Chemistry, Medicinal

Public resources for chemical probes: the journey so far and the road ahead

Albert A Antolin et al.

Future Medicinal Chemistry (2019)

添加到收藏夹

Article Pharmacology & Pharmacy

Metformin produces anxiolytic-like effects in rats by facilitating GABAA receptor trafficking to membrane

Jun Fan et al.

BRITISH JOURNAL OF PHARMACOLOGY (2019)

添加到收藏夹

Article Biochemistry & Molecular Biology

ChEMBL: towards direct deposition of bioassay data

David Mendez et al.

NUCLEIC ACIDS RESEARCH (2019)

添加到收藏夹

Article Multidisciplinary Sciences

A chemical biology toolbox to study protein methyltransferases and epigenetic signaling

Sebastian Scheer et al.

NATURE COMMUNICATIONS (2019)

添加到收藏夹

Article Biochemical Research Methods

EU-OPENSCREEN: A Novel Collaborative Approach to Facilitate Chemical Biology

Philip Brennecke et al.

SLAS DISCOVERY (2019)

添加到收藏夹

Article Biochemistry & Molecular Biology

DrugBank 5.0: a major update to the DrugBank database for 2018

David S. Wishart et al.

NUCLEIC ACIDS RESEARCH (2018)

添加到收藏夹

Review Chemistry, Medicinal

Caveat Usor: Assessing Differences between Major Chemistry Databases

Christopher Southan

CHEMMEDCHEM (2018)

添加到收藏夹

Review Pharmacology & Pharmacy

Redundancy in two major compound databases

Dimitar Yonchev et al.

DRUG DISCOVERY TODAY (2018)

添加到收藏夹

Article Biology

Donated chemical probes for open science

Susanne Mueller et al.

ELIFE (2018)

添加到收藏夹

Article Pharmacology & Pharmacy

Issue Information

BRITISH JOURNAL OF PHARMACOLOGY (2018)

添加到收藏夹

Article Biochemistry & Molecular Biology

Objective, Quantitative, Data-Driven Assessment of Chemical Probes

Albert A. Antolin et al.

CELL CHEMICAL BIOLOGY (2018)

添加到收藏夹

Review Biochemistry & Molecular Biology

Seven Year Itch: Pan-Assay Interference Compounds (PAINS) in 2017-Utility and Limitations

Jonathan B. Baell et al.

ACS CHEMICAL BIOLOGY (2018)

添加到收藏夹

Article Chemistry, Medicinal

Report and Application of a Tool Compound Data Set

Kyle V. Butler et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2017)

添加到收藏夹

Article Chemistry, Medicinal

Discovery of a First-in-Class Receptor Interacting Protein 1 (RIP1) Kinase Specific Clinical Candidate (GSK2982772) for the Treatment of Inflammatory Diseases

Philip A. Harris et al.

JOURNAL OF MEDICINAL CHEMISTRY (2017)

添加到收藏夹

Letter Biochemistry & Molecular Biology

The Drug Repurposing Hub: a next-generation drug library and information resource

Steven M. Corsello et al.

NATURE MEDICINE (2017)

添加到收藏夹

Letter Biochemical Research Methods

Probes & Drugs portal: an interactive, open data resource for chemical biology

Ctibor Skuta et al.

NATURE METHODS (2017)

添加到收藏夹

Article Biochemistry & Molecular Biology

BindingDB in 2015: A public database for medicinal chemistry, computational chemistry and systems pharmacology

Michael K. Gilson et al.

NUCLEIC ACIDS RESEARCH (2016)

添加到收藏夹

Article Multidisciplinary Sciences

Promiscuous targeting of bromodomains by bromosporine identifies BET proteins as master regulators of primary transcription response in leukemia

Sarah Picaud et al.

SCIENCE ADVANCES (2016)

添加到收藏夹

Article Biochemistry & Molecular Biology

Evidence-Based and Quantitative Prioritization of Tool Compounds in Phenotypic Drug Discovery

Yuan Wang et al.

CELL CHEMICAL BIOLOGY (2016)

添加到收藏夹

Review Biochemistry & Molecular Biology

Advancing Biological Understanding and Therapeutics Discovery with Small-Molecule Probes

Stuart L. Schreiber et al.

CELL (2015)

添加到收藏夹

Article Chemistry, Medicinal

An Aggregation Advisor for Ligand Discovery

John J. Irwin et al.

JOURNAL OF MEDICINAL CHEMISTRY (2015)

添加到收藏夹

Editorial Material Biochemistry & Molecular Biology

SnapShot: Kinase Inhibitors I

Jinhua Wang et al.

MOLECULAR CELL (2015)

添加到收藏夹

Editorial Material Biochemistry & Molecular Biology

SnapShot: Kinase Inhibitors II

Jinhua Wang et al.

MOLECULAR CELL (2015)

添加到收藏夹

Article Biochemistry & Molecular Biology

New IDH1 mutant inhibitors for treatment of acute myeloid leukemia

Ujunwa C. Okoye-Okafor et al.

NATURE CHEMICAL BIOLOGY (2015)

添加到收藏夹

Article Biochemistry & Molecular Biology

The promise and peril of chemical probes

Cheryl H. Arrowsmith et al.

NATURE CHEMICAL BIOLOGY (2015)

添加到收藏夹

Article Chemistry, Medicinal

Parallel Worlds of Public and Commercial Bioactive Chemistry Data

Christopher A. Lipinski et al.

JOURNAL OF MEDICINAL CHEMISTRY (2015)

添加到收藏夹

Article Medicine, Research & Experimental

Research Use Exemptions to Patent Infringement for Drug Discovery and Development in the United States

Alicia A. Russo et al.

COLD SPRING HARBOR PERSPECTIVES IN MEDICINE (2015)

添加到收藏夹

Article Chemistry, Medicinal

Computational Prediction and Validation of an Expert's Evaluation of Chemical Probes

Nadia K. Litterman et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2014)

添加到收藏夹

Article Chemistry, Medicinal

Estimating Error Rates in Bioactivity Databases

Pekka Tiikkainen et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2013)

添加到收藏夹

Article Multidisciplinary Sciences

An Inhibitor of Mutant IDH1 Delays Growth and Promotes Differentiation of Glioma Cells

Dan Rohle et al.

SCIENCE (2013)

添加到收藏夹

Review Chemistry, Multidisciplinary

InChI in the wild: an assessment of InChIKey searching in Google

Christopher Southan

JOURNAL OF CHEMINFORMATICS (2013)

添加到收藏夹

Article Multidisciplinary Sciences

A selective jumonji H3K27 demethylase inhibitor modulates the proinflammatory macrophage response

Laurens Kruidenier et al.

NATURE (2012)

添加到收藏夹

Editorial Material Biochemistry & Molecular Biology

The NIH Molecular Libraries Program: Identifying Chemical Probes for New Medicines

Alice McCarthy

CHEMISTRY & BIOLOGY (2010)

添加到收藏夹

Article Chemistry, Medicinal

New Substructure Filters for Removal of Pan Assay Interference Compounds (PAINS) from Screening Libraries and for Their Exclusion in Bioassays

Jonathan B. Baell et al.

JOURNAL OF MEDICINAL CHEMISTRY (2010)

添加到收藏夹

Article Multidisciplinary Sciences

Selective inhibition of BET bromodomains

Panagis Filippakopoulos et al.

NATURE (2010)

添加到收藏夹

Article Biochemistry & Molecular Biology

A crowdsourcing evaluation of the NIH chemical probes

Tudor I. Oprea et al.

NATURE CHEMICAL BIOLOGY (2009)

添加到收藏夹

Article Biochemistry & Molecular Biology

Database resources of the national center for biotechnology information

David L. Wheeler et al.

NUCLEIC ACIDS RESEARCH (2006)

添加到收藏夹

© Peeref 2019-2024. All rights reserved.