< 1 minute read
Dec. 15, 2019
Drug Discovery Websites and Databases
This table contains a list of some of the best drug discovery websites, online databases, and other online resources for drug hunters. If you have a suggestion that we've missed, feel free to reach out to info@drughunter.com.
| Name | Type | Notes |
|---|---|---|
| Guide to Pharmacology | Pharmacology Database | The IUPHAR/BPS Guide to Pharmacology is an excellent reference website containing details on various classes of drug targets, ligands, and diseases. |
| Assay Guidance Manual | Pharmacology eBook | The Assay Guidance Manual is the ultimate reference for details surrounding assays for biological activity. Maintained by Eli Lilly scientists and the NCATS, it's widely regarded as the "tome" for in vitro pharmacology. |
| drugbank.com | Drug Database | Drugbank.com is a convenient secondary database to look up drug properties, references, etc. when starting a search on an investigational or clinical molecule. |
| DrugCentral | Drug property database | DrugCentral has a searchable database of drugs with certain annotated properties from the literature and calculated properties. |
| FDA Drug Labels | FDA Drug Labels | The FDA is ultimately the most trustworthy and reliable source of any drug-related information online. The website is actually very easy to search and navigate, and links to all the primary data you need for approved drugs. The FDA has some online tools to do deep searches on all labels as well. |
| clinicaltrials.gov | Clinical Trials Database | The US NIH's Clinical Trials database is a powerful tool to find primary data and status updates on investigational molecules. I often search molecule IDs using "other terms". |
| clinicaltrialsregister.eu | Clinical Trials Database | A similar database for clinical trials conducted in the EU |
| PDB | Protein crystal structure database | The PDB is an incredible trove of highly curated structural information and links to primary references. Whenever I start a new target, I look through as many PDB codes of related protein-inhibitor complexes (if available) as possible to understand what I'm physically dealing with. |
| FDA Orange Book | Drug patent and properties database | The FDA Orange Book contains information about everything related to drugs that have been patented, including expiration dates on APIs, formulations, etc. |
| PATENTSCOPE | Worldwide patent database | The WIPO patent database is the most comprehensive searchable source for original patents online. |
| bindingdb.org | Binding data and co-crystal structure database | Bindingdb.org is a highly curated bank of binding data extracted from publications and patents and crystal structure annotations. It's a great place to start to find previously identified inhibitors for a target class. |
| Binding MoaD | Co-crystal structural database | MoaD ("Mother of all Databases") is a highly curated subset of the PDB of every high-quality example of protein-ligand binding. It is easily searchable with chemical substructures for ligands. |
| chemicalprobes.org | Chemical probe database | The chemical probes database is a high-quality manually curated set of compounds with more trustworthy biological activity. Before starting a biological study it is good to check for a curated tool here - the literature is replete with time-wasting bad actors. |
| PubChem | Molecule database | PubChem is maintained by the NIH, and contains comprehensive links on literature, patents, assays, etc. on any given compound. |
| Withdrawn | Database of withdrawn drugs | Withdrawn is a useful, curated database of drugs that have been withdrawn for various reasons. A very valuable educational source for what to be careful of and why. |
| SwissBioisostere | Isostere search | SwissBioisostere is a useful brainstorming tool that suggests isosteric replacements for a given input. |
| GPCR database | GPCR database | GPCRDB is a database on everything about GPCRs, with tools including sequence alignment and ligand sites. |
| PKI database | Kinase inhibitor database | PKIDB is a database collecting all tyrosine kinase inhibitors (TKIs) in clinical trials. |
| MRC Kinase Profiling | TKI activity database | The MRC database has selectivity/activity data for a large number of known kinase inhibitors. |
| UniProt | Protein sequence information | UniProt provides useful tools to conduct sequence alignments and similarity searches between proteins of interest. |
| Rxlist | Drug information database | Rxlist is a more easily searchable and readable database of drug properties (symptoms, trial information, etc.) extracted from drug labels. |
| BioCom | CRO Directory | Biocom is a trade group of industry suppliers that maintains a directory of suppliers that can be useful when looking for partners. |
| Pharmaceutical Outsourcing | CRO Directory | This page has a comprehensive list of potential partners for the drug development process, though it is not the easiest to navigate. |
| CDEK | Clinical experience database | CDEK is an open database of information on clinical candidates, with trial dates and links out to other databases. |
| Cortellis | Database of investigational and approved drug information | Cortellis is well-annotated commercial database of information on everything drug-related, including forecast annual sales, patents, competitors, etc. |
| Pharmaprojects | Database of commercial drug programs and status | Pharmaprojects is a commercial database of information on pipeline programs with development status, trends, and therapeutic class status, maintained by Informa. |
| Citeline | Database of clinical development information | Citeline (Trialtrove, etc.) is a commercial database of information on clinical programs with information on clinical sites and investigators, patient enrollment, etc. useful for preparing for development issues well in advance. |
| KLIFS | Kinase Structural Database | A searchable database of kinase ligands with links to their PDBs. |
Explore drughunter.com for more drug discovery resources.
