Libraries
The laboratory has a number of chemical compound libraries including:
The NIH Clinical Collection (NCC) is a plated array of approximately 450 small molecules that have a history of use in human clinical trials. The collection was assembled by the National Institutes of Health (NIH) through the Molecular Roadmap Initiative as part of its mission to enable the use of compound screens in biomedical research.
The Spectrum Collection (from MicroSource)
This is a collection of 2000 compounds (25 plates, 80 compounds/plate). About half of the collection are known bioactive agents, permitting the evaluation of hundreds of marketed drugs and biochemical standards. The other half of the collection are pure natural products and their derivatives. The collection includes simple and complex oxygen heterocycles, alkaloids, sequiterpenes, diterpenes, pentercyclic triterpenes, sterols, and many other diverse representatives.
The Maybridge “HitFinder” Library
The HitFinder™ Collection comprises 14,400 premier compounds representing the drug-like diversity of the Maybridge Screening Collection, using a clustering algorithm based on standard Daylight Fingerprints and Tanimoto similarity. All screening compounds fit Lipinski guidelines for "Drug-likeness" (logP <=5, H-bond acceptors <=10, H-bond donors <=5, Molecular Weight <= 500), and all have purity greater than 90%. Compounds have been selected to be non-reactive, ensuring fewer false positives and higher quality results.
The Discovery Chemistry (DC) Set consists of 30,000 compounds from ChemDiv’s diverse drug-like small molecules. The Target Specific Chemistry (TS) Set consists of 20,000 compounds of which 8,000 compounds target GPCR, 5,000-kinases, 3,000-Ion Channels, 3,000-NHR, and 1,000-proteases.
Lankenau Chemical Genomics Center (LCGC)
The LCGC library set is composed of ~120,000 unique compounds that pass all Lipinski and drug reactivity filters typically used in pharma to qualify drug-like libraries for high throughput screening (HTS).
