Targeted and Focused Libraries


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

ChemBridge 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 pharmacophore 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 stock and our CORE Library stock of small molecule screening compounds and combine rational design with computational selection methods. Compounds are available in mg or ┬Ámol quantities and can be supplied as dry samples or as DMSO solutions.

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to view a PDF summary of our targeted libraries.



Macrocycle Library

The Macrocycle Library is a new library of more than 6,000 macrocyclic compounds. The use of synthetic macrocycles is becoming a well-recognized approach for low druggability targets such as antimicrobial, antiviral, and protein-protein interaction inhibition. ChemBridge chemists have produced a diverse collection of novel synthetic macrocycle scaffolds, some based on natural products. To date we have developed over 70 core macrocyclic scaffolds. Primary ring sizes range from 11 to 27 atoms and MW weight up to 800. Researchers can custom select compounds from the Macrocycle Library or purchase the full set.

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for more information on the Macrocycle Library



Kinase Directed Libraries

The KINASet Library 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 selection methodology has been validated in silico. Clients can custom select compounds from the KINASet Library.

The KINACore Library is a computationally selected library of more than 12,000 small molecules from ChemBridge’s CORE Library. The KINACore Library is composed of two components: Compounds selected using the same methods used in selecting KINASet Library candidates and compounds selected using pharmacophores generated from known kinase actives. More than 420 core scaffolds are represented in the KINACore Library providing enhanced opportunities for hit-to-lead and lead optimization studies. KINACore compounds have a high novelty rating and has previously yielded a number of selective kinase ligands with compounds in the lead optimization discovery phase. Clients can custom select compounds from the KINACore Library.

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to view the product sheet for the KINACore and KINASet Libraries



GPCR Library

The GPCR Library comprises over 9,000 novel, scaffold-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 CORE Library. Clients can custom select compounds from the GPCR Library.



CNS-Set™ Library

The CNS-Set library is a biased set comprising over 57,000 druglike small molecule screening compounds 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) and other filters that increase probability of BBB (blood-brain barrier) penetration and bioavailability. Clients can custom select compounds from this CNS biased library.

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for more information on the CNS-Set Library



Ion Channel Directed Libraries

The IONSet Library is derived from our EXPRESS-Pick Collection and comprises over 6,000 small molecules biased towards ligand-gated (5HT3, GABA, glycine, nAChR & PCP receptors) and voltage-gated (sodium, potassium & calcium) ion-channels. Selections were made using published pharmacophore data1 querying up to 1,500 lowest-energy conformers per compound. Clients can custom select compounds from the IONSet Library.

The IONCore Library is a computationally selected library of more than 6,000 small molecules selected from ChemBridge’s CORE Library. Compounds were selected using pharmacophores generated from known ion channel actives. More than 320 core scaffolds are represented in the IONCore Library providing enhanced opportunities for hit-to-lead and lead optimization studies. Clients can custom select compounds from the IONCore Library.

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to view the product sheet for the IONCore and IONSet Libraries



Nuclear Receptor Directed Library

The NHRCore Library is a computationally selected library of more than 3,000 small molecules included in ChemBridge’s CORE Library. Compounds were selected for synthesis based on similarity to 3D pharmacophore fingerprints generated from published compounds with activity against nuclear hormone receptors. More than 250 novel scaffolds designed by ChemBridge are represented in the NHRCore Library. Clients can custom select compounds from the NHRCore Library or purchase the full set. For information on potential nuclear hormone receptor targets, download the product sheet using the button below.

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to view the product sheet for the NHRCore Library



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


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