Targeted and Focused Libraries
Macrocycles, Kinase, GPCR, Ion Channel, CNS, Nuclear Receptor
ChemBridge offers discovery chemistry for several key target families including GPCRs, kinases, ion channels, and nuclear hormone receptors and chemistry focused on specific areas of application including synthetic macrocycles, spirocycles and CNS property space. These set offer structural and pharmacophore diversity, lead-like and drug-like properties, and analogues for SAR development. The following targeted and focused sets are available:Click Here
to view a PDF summary of our targeted and focused libraries.
The Macrocycle Library represents more than 11,400 synthetic, macrocyclic compounds following its expansion in 2018. The use of synthetic macrocycles is becoming a well-recognized approach for low druggability targets such as protein-protein interaction inhibition and antimicrobial and antiviral targets. ChemBridge chemists have produced a diverse collection of novel, synthetic macrocycle scaffolds, including scaffolds incorporating proprietary fragments. 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.Click Here
for more information on the Macrocycle Library
The Spirocycle Library represents more than 30,000 high quality lead-like and drug-like compounds containing spirocycles. Spirocycles are well-represented in natural products but typically under-represented in screening collections based on their increased synthetic complexity. By nature of their quaternary spiro atom, spirocycles always contain some sp3 / 3D character. The Spirocycle Library represents novel compounds with 3D character based on spirocyclic scaffold designs. Researchers can custom select compounds from the Spirocycle Library set.Click Here
for more information on the Spirocycle Library
Kinase Targeted Libraries
The KINASet Library is a computationally selected group of more than 12,000 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 10,000 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.Click Here
to view the product sheet for the KINACore and KINASet Libraries
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 Focused Libraries
ChemBridge offers two screening compound options and a macrocycle subset for use in CNS focused drug discovery and chemical biology programs. Clients can custom select compounds from these CNS focused libraries:
Ion Channel Targeted Libraries
The IONSet Library is derived from our EXPRESS-Pick Collection and comprises over 7,000 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.Click Here
to view the product sheet for the IONCore and IONSet Libraries
Nuclear Receptor Targeted 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.Click Here
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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