Chemical Diversity Libraries
Chemical Compound Library
Compound libraries were acquired for the CCG based on evaluation of their uniqueness compared to each other, structural diversity, availability of neat sample for rapid follow up, and computed structural properties such as molecular weight, logP, polar surface area, number of rotatable bonds, and the presence of reactive or toxic structural motifs; structural properties which affect the lead-like quality of a compound.
The following new targeted collections are now available for high-throughput screening:
- Pure Natural Products: This collection contains more than 500 pure natural products compiled by Enzo Life Sciences. In addition, purified bioactive "hits" from our NPE screens are being made available. Compounds in this collection are annotated by their primary activity in the MScreen database. The collection can be screened using two 384-well plates.
- Epigenetics/Autophagy/REDOX Libraries: Compounds on this 384-plate include a collection of 62 small molecules that are known to modulate the activity of a variety of epigenetic 'writers and erasers' such as methyltransferases and demethylases, histone acetyltransferases and deacetylases, as well as some inhibitors of 'reader' proteins. In addition, there are 97 compounds that can be classified as either pro- or antioxidant activities. The REDOX library contains both structural and mechanistic diversity including compound classes such as hydroperoxides, polyphenolics, metal chelators, thiols, thiol traps, radical scavengers and others.
- Protease and Proteostasis Inhibitors/Wnt Pathway Modulators/Cannabinoid Agonists: 60 compounds targeting proteases and ATPases in the proteostasis pathway are available for screening. This panel includes inhibitors of calpains, neutrophil elastase, cathepsins, EPPIV, caspases, granzyme B, secretases, fuin MMPs, ACE, Proteasome, HSPs and related targets. We also have 75 compounds with diverse Wnt pathway activity. Included in this set are compounds that interfere with Wnts, Dishevelled, Wnt pathway kinases, DKK, LRP, Axin and more. Lastly, we have added 44 synthetic cannabinoid agonists.
174,000 diverse small molecule compounds
- 16,000 Maybridge HitFinder
- 13,000 ChemBridge
- 120,000 ChemDiv
- 2,000 Spectrum (FDA approved drug collection)
- 70 compounds (3.5%) approved for and restricted to agricultural use;
- 343 compounds (17.15%) with reported biological activites at the experimental level;
- 629 natural products and derivatives (31.45%) with undetermined biological activities; and
- 958 known drugs (47.9%) that have been used in human therapy
- 3,000 NCI
- 3,000 Chemical Methodology Library Development (CMLD) Program (pdf)
- 450 NIH Collection - approximately 450 small molecules that have a history of use in human clinical trials
- >30,000 Natural Product Extracts, updated quarterly (pdf); Link to the David Sherman Lab
- siRNA Library Collection (pdf)
- 106 Enzo Life Sciences Kinase Inhibitor Library (pdf)
- 217 ChemBridge KINAset Library (pdf)
20,000,000 structure external library available
