Targeted and Focused Libraries

Kinase, GPCR, Ion Channel, CNS & Nuclear Receptor Libraries

ChemBridge Corporation offers a robust discovery chemistry platform for several key target families including GPCRs, kinases, ion-channels and nuclear hormone receptors. The small-molecule sets biased or focused towards these targets offer structural and pharmacophoric diversity, leadlike or druglike properties, high purity and analogue support for SAR development. Our Focused and Biased libraries originate from both our EXPRESS-Pick Collection and our Combinatorial Libraries of small-molecule screening compounds and combine rational design with computational selection methods. All sets are available in mg or µmol quantities and can be supplied as dry samples or in DMSO solution.

Kinase-Biased Sets

The KINASet is a computationally selected group of more than 11,000 small molecules from our EXPRESS-Pick Collection chosen using a ligand-based pharmacophore search query. The method employed identifies compounds that have pharmacophores that may interact with the ATP ligand site of kinases. The compounds also exhibit other pharmacophores which may contribute to selectivity towards more specific kinases. The robust selection methodology has been validated in silico and in in vitro kinase screening assays.

The KINACore Library is a computationally selected library of more than 8,000 small molecules from ChemBridge’s Combinatorial Libraries. The KINACore Library is composed of two components: Compounds selected using the same methods used in selecting KINASet candidates (approx. 3,000 compounds) and compounds selected using pharmacophores generated from known kinase actives (approx. 5,000 compounds). More than 60 core scaffolds are represented in the KINACore Library providing enhanced opportunities for hit-to-lead and lead optimization studies. ChemBridge employs versatile chemistry methodology with the potential for accessing synthons, protocols and design expertise including scale-up. KINACore has a high novelty rating and has previously yielded a number of selective kinase ligands with compounds in the lead optimization discovery phase.

Click Here

for a PDF copy of our data sheet


GPCR Library

The GPCR Library comprises over 13,000 novel, template-based compounds designed using a series of GPCR-relevant scaffolds that mimic the beta-turn motif of endogenous peptide ligands. A random selection taken from the entire GPCR Library have been validated against GPCR targets with both agonists and antagonists being identified. The GPCR Library is part of ChemBridge’s Combinatorial Libraries and as with other internally designed and synthesized libraries, it offers ease of design for hit-to-lead optimization and access to synthons, protocols and synthetic expertise.

CNS-Set™

The CNS-Set is a biased set comprising over 50,000 druglike small molecules selected from the EXPRESS-Pick Collection using well-respected methodologies as well as medicinal chemistry expertise. Physicochemical property filters include the Lipinski Rules of Five, PSA (Polar Surface Area) limitations and numerous structural filters that increase probability of BBB (Blood-Brain-Barrier) penetration and bioavailability.

Click Here

for a PDF copy of our data sheet and physicochemical property graphs


Ion Channel-Biased Sets

The ION Channel Set is derived from our EXPRESS-Pick Collection and comprises over 5,000 small molecules biased towards ligand-gated (5HT3, GABA, glycine, nAChR & PCP receptors) and voltage-gated (sodium, potassium & calcium) ion-channels. Selections are made using published pharmacophore data1 querying up to 1,500 lowest-energy conformers per compound.

Click Here

for a PDF copy of our data sheet


The IONCore Library is a computationally selected library of more than 5,000 small molecules selected from ChemBridge’s Combinatorial Libraries. Compounds were selected using pharmacophores generated from known ion channel actives. More than 20 core scaffolds are represented in the IONCore Library providing enhanced opportunities for hit-to-lead and lead optimization studies. ChemBridge employs versatile chemistry methodology with the potential for accessing synthons, protocols and design expertise including scale-up.

Nuclear Hormone Receptor-Biased

The NHRCore Library is a computationally selected library of more than 1,200 small molecules selected from ChemBridge’s Combinatorial Libraries. Compounds were selected using pharmacophores generated from known nuclear hormone receptor actives. More than 20 core scaffolds are represented in the NHRCore Library providing enhanced opportunities for hit-to-lead and lead optimization studies. ChemBridge employs versatile chemistry methodology with the potential for accessing synthons, protocols and design expertise including scale-up.

1. Li, Y & Harte, W.E., A Review of Molecular Modelling Approaches to Pharmacophore Models and Structure-Activity Relationships of Ion-Channel Modulators in CNS, Curr. Pharm. Des., 2002, 8(2), 99-110


back to top