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High-Throughput Screening and Chemical Biology Core Facility

Compound Libraries

Our compound libraries fall into two main categories:

1. Approved drugs and compounds of known bioactive and clinical properties. There has been a recent flurry of activity in the “repurposing” of known drugs, which allows for rapid translation from screening hits to the clinic. These compound sets are also excellent tools for revealing valuable pharmacological insight into new targets.

  • Kinase inhibitor library (SelleckChem): 355 selective and potent kinase inhibitors. This library contains many pharmaceutical industry proprietary compounds that inhibit well-defined target kinases at nanomolar or sub-nanomolar concentrations. The kinase inhibitor library contains many drugs that have been in recent clinical trials, including current FDA approved targeted therapies. This is a cutting-edge collection that is an invaluable pharmacological tool for any kinase related translational research project.
  • NIH Clinical collections 1 and 2: 450 and 281 compounds, respectively. These compounds have well-documented clinical histories and known safety profiles. Includes some approved drugs.
  • Spectrum Collection: 2320 compounds. Includes approved drugs (50%), diverse natural products (30%), and other bioactive compounds (20%).
  • NCI-DTP Approved Oncology Set IV: 101 approved compounds in clinical use for oncology. This is primarily composed of chemotherapeutic drugs, but also contains some of the current targeted therapies (e.g., velcade, vorinostat, some kinase inhibitors). This is an excellent tool for translational oncology research projects.

2. Diversity sets

  • Custom designed drug-like diversity set: 20,000 compounds, Life Chemicals. This collection has high structural diversity while satisfying many published criteria for drug- and lead-likeness. The set has been selected from Life Chemical’s collection of over 750,000 compounds, with the application of chemical filters that exclude known toxicophores, likely assay interferers, undesirable functional groups, frequent-hitters, Michael acceptors, and other filters. This library is intended for discovering drug-like hits that can be rapidly translated into novel intellectual property. Multiple representatives of each chemical scaffold can yield SAR (structure-activity relationship) that can guide downstream medicinal chemistry efforts.
  • NCI-DTP Diversity Set II: 1364 compounds. This set was selected by the NCI-DTP for structural and chemical diversity from their collection of 140,000 compounds. Many of these compounds would not pass the rigorous filters used in current compound library design, but they offer a tremendous diversity in chemical space.