Small-Molecule Compound Libraries

ASDI Diversity Library

A library of 6,800 compounds of diverse chemical structure that meet the Lipinski guidelines for drug-likeness.

ChemBridge DIVERSet-CL

A collection of 50,000 small molecules with enhanced potential for therapeutic development. >90% of compounds pass a rigorous set of drug-like filters including Lipinski and Veber rules, and Pipeline Pilot SMARTS liability filtering. The library is highly diverse with a diversity index of 0.73.

ChemBridge Microformat Library

A set of 20,000 chemically diverse compounds

ChemDiv Structural Diversity Library

A collection of 30,000 diverse, drug-like compounds

CTCMLD Library

A unique library of approximately 15,000 compounds that is >99% distinct from commercial compounds. The library is built around 40 drug-like heterocyclic scaffolds and has a broader 3D molecular shape distribution than most commercial libraries. The CTCMLD is a collaborative center funded by a NIGMS P50 grant which established new chemical libraries by leveraging synthetic chemistry expertise at Northwestern University, University of Chicago and University of Illinois-Chicago.

Enzo Kinase Inhibitor Library

A focused set of 80 known kinase inhibitors that target BTK, CaM Kinase, CDK, CKI /II, EGFR, GSK, IKK, Insulin receptor, JAK, JNK, MAPK, MEK, MLCK, PI 3-Kinase, PDGFR, PKA, PKC, RAF, SAPK, Src-family, VEGFR, and more.

Kinase Focused Library

20,000 new molecules computationally selected for kinase screening using in silico virtual docking (14,000 compounds) and ligand-based pharmacophore (6,000 compounds) approaches.

MicroSource Custom Collection

Consists of the Spectrum Collection plus additional natural products cherry picked from the MicroSource catalog. Altogether it contains 2,700 compounds; 50% of the compounds are approved drugs, 35% are natural products., and 15% are compounds with established and diverse bioactivity.

NCI Plate Sets from the Open Chemical Repository Collection

A total of 3,000 compounds made available through the NCI’s Developmental Therapeutics Program. The collection consists of ~2,000 structurally diverse compounds, ~880 mechanistically diverse anti-cancer compounds, ~880 mechanistically diverse anti-cancer compounds, and 120 natural products.

NIH Clinical Collection

A small library of 450 molecules with a history of use in human clinical trials. The library is mainly used for assay development and pilot screening.

Regional Resources

The Chicago Biomedical Consortium Open Access Initiative allows researchers at Northwestern to access screening instrumentation and compound libraries at the University of Chicago’s Cellular Screening Center and the University of Illinois at Chicago’s High Throughput Screening Core. Together, these regional resources provide an additional 132,000 compounds for screening which are non-overlapping with HTAL’s internal libraries. The compounds are primarily from the ChemBridge DIVERSet and the ChemBridge EXPRESS-Pick collections.