High Throughput Screening Facility

Broad-coverage, chemically diverse sets meant to represent as much chemical space as possible without targeting a specific protein family or therapeutic area. Generally large, multi-purpose libraries are used for primary screening.

Vanderbilt Discovery Collection – 98,880
Selected from Life Chemicals by Vanderbilt medicinal and computational chemists to provide lead-like motifs, minimum pan-assay interference, and maximum diversity.

VICB – 148,030
Legacy collection of diverse drug-like molecules from  ChemBridge and ChemDiv 

Diversity Set V – 1,593
Diverse scaffolds selected from the 140,000-compound from the NCI Developmental Therapeutics Program 

MLPCN – 16,707
In 2008, Vanderbilt was selected to be a part of the NIH Molecular Libraries Probe Production Centers Network (NIH MLPCN) This is a collection of chemically diverse small molecules, some of which have known biological activities and others of which have the potential to modulate novel biological functions. All results are required to place results into PubChem 

Spectrum Collection – 3,118
Structurally diverse biologically active compounds and natural products from Spectrum Chemical.

Focused collections designed with a specific target class, therapeutic area, or chemical scaffold in mind. Includes curated or combinatorially designed sets, as well as collections enriched for certain biological activities.

BBB-Permeable CNS Library – 7,100
Curated selection of Blood-Brain Barrier (BBB) permeable compounds, featuring high chemical diversity and structural novelty. Tailored for CNS drug discovery, targeting a range of CNS and neurological-related diseases such as Parkinson’s disease, Alzheimer’s disease, schizophrenia, and drug dependence from Life Chemicals.

BioActive Lipid 2023 – 1,037
Includes prostaglandins, thromboxanes , cannabinoids, D-myo-inositol-phosphates, phosphatidylinositol-phosphates, sphingolipids, inhibitors, receptor agonists and antagonists, ceramide derivatives, and several other complex polyunsaturated fatty acids; ideal for proteinoids or other G protein-coupled receptor screening. Cayman Chemical 

Enzo Kinase Inhibitors – 80
Known kinase inhibitors including Insulin/IFG Receptors, PI 3-Kinase, CaM Kinase II, JAK, PKA, CDK, JNK, PKC, CKI II, MAPK, RAF, EGFR, MEK, SAPK, GSK, MLCK, Src-family, IKK, PDGFR, VEGFR, and more from Enzo Life Sciences.

Epigenetics 2019 – 171
Variety of structurally and mechanistically distinct small molecule modulators (inhibitors and activators) with biological activity used for epigenetics research and associated assays from SelleckChem.  

GlaxoSmithKline Published Kinase Inhibitors – 349
Small molecule kinase inhibitors spanning over 30 chemotypes that have been previously published by GSK in peer-reviewed scientific journals. 

Ion Channel Library – 6,240
A collection of compounds targeted to ion channels complied using 2D fingerprint similarity methodology from Life Chemicals.  

Kinase Inhibitor Library – 423
A unique collection of kinase inhibitors for high-throughput screening and high content screening from SelleckChem.  

Marnett Library – 310
Nonsteroidal anti-inflammatory drugs (NSAID) derivatives contain cyclooxygenase inhibitors, PPARgamma activators, and apoptosis inducers that were synthesized by Larry Marnett.  NSAID derivatives with COX inhibition, PPARγ activation, and apoptosis induction.

Mechanistic Set III – 813
Derived from the 37,836 open compounds that have been tested in the NCI human tumor 60 cell line screen from the NCI Developmental Therapeutics Program.

Steroid-like Library – 498
Steroid-like compounds and drugs used to treat an assortment of medical ailments such as inflammation, allergic reaction, heart disease, cancer, and metabolic disease.  ChemDiv 

Collections containing compounds with established biological activity, approved drugs, clinical candidates, or historically significant compounds. These are often used for repurposing, benchmarking assays, and validating screening hits.

Anti-Cancer Compound Library – 412
Unique collection of anti-cancer compounds for multiple cancer types: breast, lung, colorectal, leukemia, lymphoma, etc.  SelleckChem 

FDA Approved Drugs – 960
FDA-approved drugs prior to 2016. SelleckChem 

NIH Clinical Collection – 640
Compounds tested in human clinical trials from various vendors including: Enamine, Light Biologicals, Sequoia Research Products Ltd., Tocris, and Sigma.

Roche – 235
Protein kinase inhibitors, disclosed in peer-reviewed scientific publications, require a collaborative agreement with Roche. This collection was previously in Roche’s drug development pipeline but was discontinued after failing to meet clinical trial milestones.  

Schuppe Collection – 42
Alex Schuppe is interested in the development of new carbon–carbon bond forming reactions to rapidly synthesize biologically active small molecules with special interest in designing innovative strategies to access molecules with potent anticancer and neurological activities. This collection was donated to MDSC for screening.  

Stork Collection – 249
This unique collection includes structurally diverse natural products, synthetic intermediates, analogs, and historically significant compounds not available in commercial libraries. All were synthesized by Gilbert Stork and generously donated to the MDSC for screening. 

Vanderbilt Custom Collection – 498
Unique chemistry synthesized by Vanderbilt chemists in MDSC.

Weaver Library – 294
Compounds synthesized by MDSC for C. David Weaver including activators, inhibitors, and dead were made for the GIRK ion channel modulator program. 

Fragment Library- Low molecular weight molecules designed for fragment-based drug discovery. Not typically used for whole-library HTS in the same way as diverse or focused sets — requires specialized screening and follow-up chemistry.

Fesik Fragment Library – 15,473
This library also requires approval from Fesik Lab prior to distribution.