HTS Libraries

DIVERSITY LIBRARIES  
The facility possesses a 16,000 compound library from the Chembridge DIVERSet.  These are a collection of "universally" diverse, pre-designed drug-like small molecules.  The compounds have been rationally selected based on 3D pharmacophore analysis to cover the broadest part of biologically relevant pharmacophore diversity space.
This library is a 20,000 member compound library from Chemical Diversity Labs, Inc.
This library was chosen to complement the Chembridge library. Chemical Diversity Labs examined our current collection of compounds and ran heterocyclic clustering and matrix maximization algorithms of Chemosoft TM to fill voids in the chemistry space while maintaining maximal diversity of the entire set.
The two Life Chemicals diversity libraries(LifeCHEMI and LifeCHEM2) each consist of 25,000 diverse, drug-like compounds selected from Life Chemicals, inc. repository. "All compounds in our Collection can be distinguished as original, most carefully selected, diverse, well-characterised and pure, lead-like and drug-like new chemical entities."
The Maybridge HitFinder collection of screening compounds consists of 14,400 premier compounds representing the drug-like diversity of the Maybridge Screening Collection, offering easy and rapid lead identification. All screening compounds fit Lipinski guidelines for "drug-likeness", and all have purity greater than 90%. The compounds are arrayed in 45 384-well microtiter plates and are available for screening at 1mM and 0.1mM stock concentrations. The first and last 2 columns are empty on each plate

 

SPECIALIZED LIBRARIES

 

The NCI04 "Diversity Set III" library (Received 10-18-2012) consists of 1597 compounds .

The NCI05 "Mechanistic Diversity Set" library (Received 10-18-2012) consists of 879 compounds which have represent a broad range of structural diversity and patterns of growth inhibition in the NCI 60 cell line screen.

The NCI06 "Natural Product Set II" library (Received 10-18-2012) consists of 117 natural products that were selected from the NCI open repository.

The NCI07 "Approved Oncology Set IV" library (Received 10-18-2012) includes 101 compounds.

For more information about these libraries:

http://dtp.nci.nih.gov/branches/dscb/repo_open.html

http://dtp.nci.nih.gov/dtpstandard/ChemData/index.jsp

The NIH Clinical Collection (NCC) is a plated array of approximately 450 small molecules that have a history of use in human clinical trials.
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, for high-affinity targets, may even be appropriate for direct human use in new disease areas.
The Prestwick Chemical Library® contains 1120 small molecules, 100% being marketed drugs, thus it presents the greatest possible degree of drug-likeliness. The active compounds were selected for their high chemical and pharmacological diversity as well as for their known bioavailability and safety in humans.
The 2000 compounds in the SPECTRUM Collection were selected by medicinal chemists and biologists so as to provide a wide range of biological activities and structural diversity for screening programs with special emphasis on the de-novo assays emerging today. Such content provides the opportunity to evaluate drugs and biochemical tools with known biological profiles and, at the same time, explore the potential of novel structural and topographical diversity manifest in pure natural products.