Tag: drug discovery

The DrugBank database is a unique bioinformatics and cheminformatics resource that combines detailed drug data with comprehensive drug target information.

The Open Targets Platform is a comprehensive and robust data integration for access to and visualisation of potential drug targets associated with disease. It brings together multiple data types and aims to assist users to identify and prioritise tar ...

TDR Targets integrates chemical and genomic information and allows users to prioritize targets and compounds to develop and repurpose new drugs and chemical tools for human pathogens. The TDR Target Project was started in 2005 after a call for applic ...

The Therapeutic Target Database provides information about therapeutic protein and nucleic acid targets, the targeted disease, pathway information and the corresponding drugs directed at each of these targets. Also included in this database are links ...

BindingDB enables research by making a growing collection of high-quality, quantitative, protein-ligand binding data findable and usable. Funded by NIGMS/NIH.

A wide variety of enzymatic pathways that produce specialized metabolites in bacteria, fungi and plants are known to be encoded in biosynthetic gene clusters. Information about these clusters, pathways and metabolites is currently dispersed throughou ...

The Chemical Probes Portal is an online open access catalog of annotated small molecule inhibitors, agonists and other chemical tools for biological research and preclinical drug discovery. Annotations for are extensive and distinguish between activi ...

Kinase-Ligand Interaction Fingerprints and Structures database (KLIFS) is a database that revolves around the protein structure of catalytic kinase domains and the way kinase inhibitors can interact with them. Based on the underlying systematic and c ...

canSAR is an integrated cancer research and drug discovery resource that brings together large-scale data from different disciplines and allows query and exploration to help cancer research and drug discovery.

DrugCentral is online drug information that provides information on active ingredients, chemical entities, pharmaceutical products, drug mode of action, indications, and pharmacologic mode of action. DrugCentral monitors FDA, EMA, and PMDA for new dr ...

Herbal active Ingredients and their Targets

Reframedb is a comprehensive open-access, drug repositioning screening set of 12,000 compounds that was assembled by combining three widely-used commercial drug competitive intelligence databases (Clarivate Integrity, GVK Excelra GoStar and Citeline ...

Recent cancer pharmacogenomic studies profiled large panels of cell lines against hundreds of approved drugs and experimental chemical compounds. The overarching goal of these screens is to measure sensitivity of cell lines to chemical perturbations, ...

Drug targets prioritised from genetic data

> COMMON LINK WITH (PUB. & NAME DIFFERENT) bio.tools/predrbr (DENGLAB.ORG), bio.tools/deepsacon (DENGLAB.ORG), bio.tools/predhs (DENGLAB.ORG) | an integrative cancer drug combination data portal | DrugComb is an open-access, community-driven data por ...

next generation access point for perturbation-response signatures. The Library of Integrated Network-Based Cellular Signatures (LINCS) is an NIH Common Fund program with the goal of generating a large-scale and comprehensive catalogue of perturbatio ...

DrugCombDB is a comprehensive database dedicated to integrating drug combinations from various data sources, include 1) high-throughput screening assays of drug combinations, 2) external databases, and 3) manual curations from PubMed literature.

Drug2Gene is a free multi-species drug-target knowledge base. It contains integrated and unified data of publicly available relations between drugs/compounds and their gene/protein targets gathered from 20 publicly available bio- and chemoinformatics ...

In silico drug docking against SARS-CoV2 targets

A resource for computational drug design and discovery

Presaging Critical Residues in Protein interface DataBase

Database for drug repurposing, combination therapy, and replacement therapy.

This tool is for understanding the coronavirus proteome and evaluating possible drug targets.

Mother of All Databases (MOAD) - Polypharmacology Tools and Their Utility in Drug Repurposing.

Disco Cross Docking Benchmark server for automated pose and ranking prediction of ligand binding.

Anti-Inflamamtory Compounds Database for drug discovery.

Prediction of the Metabolites Resulting from Phase 1 and Phase 2 Biotransformations of Xenobiotics. New E-Resource for Drug Discovery. Regioselectivity prediction for phase 1 and phase 2 metabolism.

DrugRepV is a compendium of repurposed drugs and chemicals targeting epidemic and pandemic viruses.

Checkpoint Therapeutic Targets and Modulators Database (CKTTD) for Cancer Immunotherapy is a comprehensive database for checkpoint targets and their modulators in cancer immunotherapy. Immune checkpoints are regulators of the immune system which prev ...

Facilitating drug discovery with enriched comparative data of targeted agents.

Human kinase pocket database for drug design. BACKGROUND:The kinase pocket structural information is important for drug discovery targeting cancer or other diseases. Although some kinase sequence, structure or drug databases have been developed, the ...

A database of experimentally supported protein-coding RNAs and drug associations in human cancer.

A comprehensive mitochondrial toxicity database.

A Web Server and Interactive Web Repository of Small Ligand-Protein Binding Sites for Drug Design.

A Comprehensive Database for Drug Repositioning Inspired by Experimental Knowledge | Drug Repositioning Drug repositioning, or the identification of new indications for approved therapeutic drugs, has gained substantial traction with both academics a ...

Toward Enhancing the Precision of Top Hits in Ligand-Based Virtual Screening of Drug Leads from Large Compound Databases.

A large and standardized collection of transcriptome data sets for human pluripotent stem cell research.

The SistematX Web Portal of Natural Products is database of secondary metabolites.

Database platform to discover potential drugs and targets of COVID-19 at whole transcriptomic scale.

DenvInD is a database containing dengue virus inhibitors for clinical and molecular research.

An intuitive database of RNA pocket topology information with RNA-ligand data resources.

Cancer Treatment Response gene signature DataBase (CTR-DB). A database for basic and clinical researchers to access, integrate, and reuse clinical transcriptomes with cancer drug response.

The Glycine Receptor Allosteric Ligands Library (GRALL). GRALL – [IFM] LABORATOIRE D’INGÉNIERIE DES FONCTIONS MOLÉCULAIRES.

Iranian traditional medicine General Ontology (IrGO) and knowledge base. Iranian traditional medicine (also called Persian Medicine), is an elaborate holistic system of healing grounded in a philosophical basis.

Mining drug-target and drug-adverse drug reaction databases to identify target-adverse drug reaction relationships.

A large and continuously updated drug combination database.

An integrative data portal for broad-spectrum antivirals (BSA) and BSA-containing drug combinations (BCCs).

A database for anti-cancer compounds with targets and side effect profiles.

Databases which contain gene expression levels from next generation sequencing and also drug screening data for a large number of cancer cell lines.

CompoundDB4j is an Integrated Drug Resource of Heterogeneous Chemical Databases.

DBPOM is a comprehensive database of pharmaco-omics for cancer precision medicine.

The Contraceptive and Infertility Target DataBase. The CITDBase is a tool that provides a gateway for reproductive tissue-specific genes and proteins for research and the discovery of new contraceptive/infertility targets.

RNA aptamer 3D-structural modeling database.

A comprehensive database on adverse drug events. MetaADEDB is an online database we developed to integrate comprehensive information of adverse drug events (ADEs). The new version consists of 744,709 drug-ADE associations between 8,498 compounds (i ...

An integrative platform to navigate the biology, structure and chemical inhibition of human proteins.

A Database Extension to Visualize Structural Interactome in One-to-many Manner

D3PM is a Comprehensive Database for Protein Motions Ranging from Residue to Domain

Database of compounds registered in the Open PHACTS platform, with structure similarity search. Look up chemical properties (SMILES).

Applications of the Microphysiology Systems Database for Experimental ADME-Tox and Disease Models | The MPS-Db aggregates MPS data with linked preclinical and clinical databases for analysis in the context of human exposure. Built in tools enable the ...

CovPDB, a database solely dedicated to high-resolution cocrystal structures of biologically relevant cP–L complexes, curated from the Protein Data Bank

Annotated collection of normalized data describing antimicrobial peptides, their sources, their 3D structures, and their target organisms. It enables users to perform quick queries and allows the entire peptide community to contribute to the reposito ...

ZINC Express is a virtual assistant for purchasing compounds annotated in the ZINC Database.

<<<!!!<<< The Open PHACTS Linked Data API and associated infrastructure was closed down in March 2019 to allow the team to focus on the next phase. http://www.openphactsfoundation.org/open-phacts-platform-update-march-2019/ >>>!!!>>>

A comprehensive database for the linking of Traditional Chinese Medicine with modern medicine at molecular and phenotypic levels.

The database revolves around the protein structure of catalytic PDE domains and the way PDE inhibitors can interact with them. It contains a systematic analysis of all phosphodiesterase (PDE) catalytic domain crystal structures present in the Protein ...

A web-based chemical repository of flavonoid compounds. Flavonoids are richly diverse polyphenolic plant secondary metabolites that are known to be crucial component of human diet. These compounds are attributed with variety of nutritional as well a ...