"BiasDB is a manually curated database containing all published biased GPCR ligands. BiasDB currently contains 654 bias cases of signaling bias representing 489 individual ligands for 61 receptors. We provide information about the chemical structure, target receptor, type of bias, assay categories used for bias determination, reference ligand and literature source. BiasDB is a resource for medicinal chemists, pharmacologists and researchers interested in biased GPCR signaling."

"Represents a selected collection of the HCS bioactive compounds whose targets span the functional landscape of the cell."

"The aim of this database is to compile information on commercially available cyclin-kinase inhibitors and provide a critical evaluation of their utility as molecular probes."

"Because of polypharmacology, a large part of the human kinome currently lacks selective chemical probes. To discover such probes, we profiled 1,183 compounds from drug discovery projects in lysates of cancer cell lines using Kinobeads. The resulting 500,000 compound–target interactions are available in ProteomicsDB and we exemplify how this molecular resource may be used."

"Klaeger et al. performed a comprehensive analysis of 243 kinase inhibitors that are either approved for use or in clinical trials. They provide an open-access resource of target summaries that could help researchers develop better drugs, understand how existing drugs work, and design more effective clinical trials."

"The Concise Guide to PHARMACOLOGY 2017/18 is the third in this series of biennial publications. This version provides concise overviews of the key properties of nearly 1800 human drug targets with an emphasis on selective pharmacology (where available). This set contains only small-molecular ligands with available structure (i.e., deosn?? contain antibodies, most of the peptides etc.)."

"The Concise Guide to PHARMACOLOGY 2019/20 is the fourth in this series of biennial publications. The Concise Guide provides concise overviews of the key properties of nearly 1800 human drug targets with an emphasis on selective pharmacology (where available)."

"The Concise Guide to PHARMACOLOGY 2021/22 is the fifth in this series of biennial publications. The Concise Guide provides concise overviews, mostly in tabular format, of the key properties of nearly 1900 human drug targets with an emphasis on selective pharmacology (where available)."

"The Concise Guide to PHARMACOLOGY 2023/24 is the sixth in this series of biennial publications. The Concise Guide provides concise overviews, mostly in tabular format, of the key properties of approximately 1800 drug targets, and about 6000 interactions with about 3900 ligands."

"CovalentInDB (Covalent Inhibitor Database) is the largest web-accessible resource for covalent inhibitors and related targets. The latest version provides the information for 4511 covalent inhibitors and 280 related protein targets collected by comprehensive literature searching. The inhibitors in CovlnDB possess 57 types of reactive warheads, including Michael acceptor, beta lactam, boronic acid, epoxide, halohydrocarbon, etc. CovalentInDB provides not only the basic information of covalent inhibitors, targets, and bioactivity, but also the reactive warheads of inhibitors, covalent reaction mechanism, attacked nucleophilic residues and covalent-mechanism experimental verification methods. A molecular visualization function is also embedded to display protein-ligand interaction. Moreover, CovalentInDB also provides the structural transformation process during the covalent reaction for each warhead. "

"ovBinderInPDB database contains 7375 covalent modifications in which 2189 unique covalent binders target nine types of amino acid residues (Cys, Lys, Ser, Asp, Glu, His, Met, Thr, and Tyr) from 3555 complex structures of 1170 unique protein chains."

"CZ-OPENSCREEN: National Infrastructure for Chemical Biology"

"Drug repurposing experiments are limited by the lack of comprehensive screening libraries. We introduce a best-in-class drug screening collection with more than 3,000 clinical drugs. The Repurposing Hub information resource contains extensive curated annotations for each drug, including details about commercial sources of all compounds. We invite you to explore the Hub information resource as a first step towards discovering new therapeutic applications for existing drugs."

"Comprehensive Rat Toxicogenomics Database and Analysis Tool "

"The 2463 compounds are active against 1039 different targets, contain 654 approved drugs and 368 highly selective probes. A graphical overview about target and pathway coverage is shown below and was generated using the Probes & Drugs portal (www.probes-drugs.org). The bioactive library is provided in seven compound mother plates in 384-well format and is now available to research projects in collaboration with one of our partner sites. "

"As high quality chemical probes have only been developed for a very small fraction of targets, the less stringent criteria for defining small molecules used in chemogenomics compound sets enables covering a larger target space. It is one of the main goals of EUbOPEN to cover about 30% of all targets that are currently thought to be druggable."

"The Published Kinase Inhibitor Set (PKIS) is a collection of 376 compounds that have been made available by GSK for screening by external groups; all compounds have been published in the scientific literature. The hope is to generate probe molecules for the majority of the kinome that is as yet untargeted."

"One of the main aims is to provide a searchable database with quantitative information on drug targets and the prescription medicines and experimental drugs that act on them. In future versions we plan to add resources for education and training in pharmacological principles and techniques along with research guidelines and overviews of key topics. We hope that the IUPHAR/BPS Guide to PHARMACOLOGY will be useful for researchers and students in pharmacology and drug discovery and provide the general public with accurate information on the basic science underlying drug action."

"We generated an 'Informer Set' of 481 small-molecule probes and drugs that selectively target distinct nodes in cell circuitry and that collectively modulate a broad array of cell processes. We quantitatively measured the sensitivity of 860 deeply characterized cancer-cell lines to Informer Set compounds, and have undertaken analyses connecting sensitivity to cancer features, including mutations, gene expression, copy-number variation, and lineage."

"IPPI-DB is a database of modulators of protein-protein interactions. It contains exclusively small molecules and therefore no peptides. The data are retrieved from the literature either peer reviewed scientific articles or world patents. A large variety of data is stored within IPPI-DB: structural, pharmacological, binding and activity profile, pharmacokinetic and cytotoxicity when available, as well as some data about the PPI targets themselves."

"JUMP-MOA is list of compounds with diverse MOAs that fit on a single 384-well plate, with 4 replicates per compound. There are 90 compounds from 47 distinct MOA classes. The recommended concentration for these compounds is 3 uM. This resource was created through the JUMP-Cell Painting Consortium."

"The list of compounds were derived from Broad's Drug Repurposing Hub dataset, a curated and annotated collection of FDA-approved drugs, clinical trial drugs, and pre-clinical tool compounds. The genes perturbed by genetic perturbations were chosen because they are the annotated targets of the compounds."

"The PDSP Ki database is a unique resource in the public domain which provides information on the abilities of drugs to interact with an expanding number of molecular targets. The Ki database serves as a data warehouse for published and internally-derived Ki, or affinity, values for a large number of drugs and drug candidates at an expanding number of G-protein coupled receptors, ion channels, transporters and enzymes."

"To expedite kinome-wide target discovery, we have begun construction of a comprehensive kinase chemogenomic set (KCGS). This practical solution takes advantage of the chemical connectivity of kinases (cross reactivity of inhibitors), the large numbers of kinase inhibitors already made by labs around the world (and thus volume of data available), and the ability to screen practically kinome wide. Selected only compounds meeting the criteria for the inclusion into KCGS."

"KCGS version 1.0 is currently the best publicly available set of well-annotated potent and selective kinase inhibitors. All of the inhibitors have narrow selectivity profiles as ascertained from screening across an assay panel covering the majority of the human protein kinases."

"Selective small-molecule inhibitors of protein kinases can serve as powerful tools to elucidate biological function. Efforts to develop potential drug candidates have yielded a wealth of kinase inhibitors. However, selecting the optimal kinase inhibitor for a particular application can be challenging. While the optimal inhibitor will be application specific, we have attempted to summarize some of the best reported inhibitors for various kinases."

"The Database contains all publicly available HMS LINCS datasets and information for each dataset about experimental reagents (small molecule perturbagens, cells, antibodies, and proteins) and experimental and data analysis protocols."

"Generated list for a 3202-compound "mechanism of action library (LSP-MoA) that optimally covers the liganded genome and should be of general utility in semi-focused screening campaigns. "

"LSP-OptimalKinase library is a collection of 256-compounds that outperforms all existing kinase libraries with respect to selectivity, target coverage, structural diversity and number of approved and investigational drugs."

"The Malaria Box is a treasure trove of 400 diverse compounds with antimalarial activity that was available free of charge until December 2015."

"This plated set of 1133 compounds contains 216 probe molecules. The set was enhanced with 917 structure activity relationship (SAR) compounds - additional compounds synthesized during the probe projects or chemically similar compounds selected from the MLSMR. The SAR and similarity compounds are expected to be useful leads in finding modifiers of proteins in gene families related to each probe target. Not all compounds were included in the final arrays due to availability or poor storage stability."

"A cheminformatic analysis of the structural and physicochemical properties of natural product-based drugs in comparison to top-selling brand-name synthetic drugs, and a selection of chemical probes recently discovered from diversity-oriented synthesis libraries."

"The NIH Clinical Collection is a plated array of 719 small molecules that have a history of use in human clinical trials. The collection was assembled by the National Institutes of Health (NIH) through the Molecular Libraries Roadmap Initiative as part of its mission to enable the use of compound screens in biomedical research. Similar collections of FDA approved drugs have proven to be rich sources of undiscovered bioactivity and therapeutic potential. The clinically tested compounds in the NCC are highly drug-like with known safety profiles. These compounds can provide excellent starting points for medicinal chemistry optimization and may even be appropriate for direct human use in new disease areas."

"The Mechanistic Set VI, which consists of 811 compounds, was derived from the 37,836 open compounds that have been tested in the NCI human tumor 60 cell line screen. In contrast to the original diversity set of 1,990 compounds, which was chosen on the basis of structural diversity, this mechanistic diversity set was chosen to represent a broad range of growth inhibition patterns in the 60 cell line screen, based on the GI50 activity of the compounds. "

"The assembly of chemogenetic libraries composed of chemical probes provides tremendous value to biomedical research, but requires substantial effort to ensure diversity as well as quality of the contents. We are assembling a chemogenetic library by data mining and crowdsourcing institutional expertise. We are sharing our methodology, lessons learned, and disclosing our current collection of 4186 compounds with their primary annotated gene targets."

"The NCGC Pharmaceutical Collection (NPC) is a comprehensive, publically-accessible collection of approved and investigational drugs for high-throughput screening that provides a valuable resource for both validating new models of disease and better understanding the molecular basis of disease pathology and intervention."

"The mission of NURSA is to accrue, develop, and communicate information that advances our understanding of the roles of nuclear receptors (NRs) and coregulators in human physiology and disease. The NURSA website has been developed over the past decade into a comprehensive source of information about NRs and their co-regulators, ligands, and downstream transcriptional targets."

"Open Source Malaria (OSM) is aimed at finding new medicines for malaria using open source principles, embodied in the 6 Laws of Open Research. At the moment the majority of work involves the synthesis of analogs of compounds identified by big pharma, with the aim of improving their potency while making the molecules more druggable, what is known as a hit-to-lead campaign."

"The Pandemic Response Box contains 400 diverse drug-like molecules active against bacteria, viruses or fungi."

"A Curated, Annotated and Updated Database of Protein Kinase Inhibitors in Clinical Trials"

"PROTAC-DB is the first web-accessible database dedicated to proteolysis-targeting chimeras (PROTACs). Users can search compounds through target, chemical structure, compound name, and ID. The chemical structures, biological activities, and physiochemical properties of these compounds were manually extracted from the literature or calculated by some programs."

"Based on our data and cumulative experience with HTS, we propose an informer set of control compounds to model cell injury phenotypes in HCS and other phenotypic assays including mechanism-based and nonspecific modes of gross cellular injury."

"The ReFRAME collection of 12,000 compounds is a best-in-class drug repurposing library containing nearly all small molecules that have reached clinical development or undergone significant preclinical profiling. "

"The Pathogen Box contains ~400 diverse, drug-like molecules active against neglected diseases of interest and is available free of charge."

"VGSC-DB is the first open-source database for VGSCs, which provides open access to 6055 data records, including 3396 compounds from 173 references toward nine subtypes of Navs (Nav1.1 ~ Nav1.9). "

"These compounds include cytotoxic chemotherapeutics as well as targeted therapeutics from commercial sources, academic collaborators, and from the biotech and pharmaceutical industries."

"Tool compounds are our recommendations for the best orthogonal substances for phenotypic screens."