Compound Collection

FDA-approved Drug Library

  • A unique collection of 1440+ FDA approved drugs, available for 96-well and 384-well assays.
  • Locate new targets for old drugs
  • Bioactivity and safety confirmed by clinical trials
  • All compounds have been approved by FDA
  • Related to oncology, cardiology, anti-inflammatory, immunology, neuropsychiatry, analgesia etc
  • Structurally diverse, medicinally active, and cell permeable
  • Rich documentation with structure, IC50, and customer reviews
  • NMR and HPLC validated to ensure high purity

For more information visit: Selleckchem Download Struncture File - SDF

Kinase Inhibitor Library

  • A unique collection of 400+ kinase inhibitors, , available for 96-well and 384-well assays.
  • Bioactivity and safety confirmed by preclinical research and clinical trials
  • Some inhibitors have been approved by the FDA
  • Targets kinases such as RTKs, PI3K, Aurora Kinase, CDK, and MEK
  • Most are ATP competitive

For more information visit: Selleckchem Download Struncture File - SDF

MSSP (Spectrum 1)

Library MSSP was purchased from MicroSource Discovery Inc. (Groton, CT). It contains 2,000 compounds on 25 plates, 80 compounds per plate. The columns on the right and left sides of each plate (columns 1 and 12) contain DMSO only. The plates are labeled 1-25.

In the master plates, each compound is suspended in DMSO at a concentration of 10mM. The average molecular weight of the compounds is 350 g/mol. Plates diluted to 2 mM or 0.1 mM are considered 200X or 10X, respectively.

The library contains known bioactive compounds and natural products and their derivatives. More information on the MicroSource Discovery Spectrum library can be found at http://www.msdiscovery.com/ or contact the ChemCORE at info@hopkinschemcore.org.

For structure information visit: JHU compound database

Sigma LOPAC 1280

Library LOPAC 1280 was purchased from Sigma-Aldrich.  It contains 1,280 compounds on 16 96-well plates, 80 compounds per plate. In the master plates, each compound is suspended in DMSO at a concentration of 10mM.

The library contains pharmacologically active compounds for all major target classes, such as GPCRs and kinases.  Some of them are marketed drugs.  Each of the compounds is available as individual item from Sigma-Aldrich catalog, permitting rapid and guaranteed assess of compounds in follow-up experiments.  More information on the LOPAC 1280 library can be found at http://www.sigmaaldrich.com/Area_of_Interest/Chemistry/Drug_Discovery.html  or contact the ChemCORE at info@hopkinschemcore.org.

For structure information visit: JHU compound database

ChemBridge CNS-Set

The CNS-Set library ( 50,000 compounds) was developed to facilitate the exploration of compounds which would be more likely to pass the blood brain barrier. The library has a log P between 0-5, a lower molecular weight limit (190-500 instead of 170-700), and utilizes our internal Medicinal Chemistry expertise for hand selecting compounds as well as Chem-X software for pharmacophore diversity quantification. This library is useful not only for CNS therapeutic targets, where a compound's ability to pass the blood brain barrier is critical, but also for general screening conditions where Lipinsky Rule of Five considerations may be important. More information on ChemBridge MicroFormat libraries can be found at http://www.chembridge.com/documents/CNS_Set.pdf  or contact the ChemCORE at info@hopkinschemcore.org .

For structure information visit: JHU compound database

ChemBridge Diver-SET

The DIVERSet library ( 50,000 compounds) is designed as a universal screening library, covering the broadest part of pharmacophore diversity space with the minimum number of compounds. This substantially cuts discovery timescales and cost by reducing the number of compounds that need to be tested. DIVERSet is particularly useful for primary screening against a wide range of biological targets, including those where no structural information is available. More information on ChemBridge MicroFormat libraries can be found at http://chembridge.com/chembridge/ or contact the ChemCORE at info@hopkinschemcore.org .

For structure information visit: JHU compound database

NIH Full Library

The NIH library ( 300,000 compounds) is available for qualified project.

For compound selection details, please visit NIH Molecular Libraries web hosted by Evotec.

Contact us for details: info@hopkinschemcore.org

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