COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION

We offer special molecular sets, created using complex computational optimization, which allows to maximize diversity and exclude potentionally problematic molecules. They are specifically developed to provide efficient start to research project or to expand a current one.

Targeted Libraries:

 Our updated predicted ion channel modulators library IONMARK2 has 2597 compounds predicted to have activation or inhibition activity on ion channels. Compounds were filtered using our in-house algorithm by comparing them with compounds that have known ion channels activity with focus on calcium, potassium and sodium channels. Library has no more than 30 analogues for each reference compound with Tanimoto coefficient >0.9. All compounds in this library are lead-like molecules that follow RO5 and RO3.

Our updated Kinase-Targeted screening library KINASEMARK2 contains 1764 compounds, which are analogues of compounds with known kinase activity. This library consists of predicted protein kinases modulator molecules and is designed specifically to target cancer-associated kinases. Compounds were filtered using our in-house algorithm by comparing them with compounds that have known kinase activity. Library has no more than 30 analogues for each reference compound with Tanimoto coefficient >0.9. All compounds in this library are lead-like molecules, that follow Rule of three (RO3). Our legacy kinase targeted library (KINASEMARK) is also available.

Our Proteases modulators library, Protease-MARK, is designed to assist researchers, looking for small molecular compounds which would inhibit or enchance specific protease's function. This library has 2500 compounds, filtered based on structural similaries to already existing agents.

Our Protease Targeted Library PROTEASEMARK2 is designed to assist  researchers, looking for small molecular compounds which would modulate targeted protease's functions. This library has 8991 compounds, which were  selected and filtered using our in-house algorithm by comparing them with  existing agents that have known protease activity. Library has no more than 
30 analogues for each reference compound with Tanimoto coefficient >0.9.  All compounds in this library follow Rule-of-Five.

 We also offer a specialized CNS-focused library of small molecular compounds, It includes 4247 compounds, optimized based on high predicted BBB permeability and bioavailability.

 Our Ligase-Targeted screening library LIGASEMARK contains 7261 compounds, which are analogues of compounds with known ligase activity. This library is designed with a goal to jump-start or expand your project to search for molecules affecting various ligases. Compounds were filtered using our in-house algorithm by comparing them with compounds that have known ligase activity. Library has no more than 30 analogues for each reference compound with Tanimoto coefficient >0.95. All of the compounds in this library follow Rule-of-Five.

Our Coronaviruses Targeted Library COVMARK is designed to assist researchers in finding inhibitors of novel coronavirus. It contains 10027 compounds that were filtered using our in-house algorithm based on similarity to known compounds affecting various structural complexes of coronaviruses related to 2019-nCoV. This library has no more than 30 analogues for each reference compound with Tanimoto coefficient >0.9. All compounds in this library follow Rule-of-Five.

 Our HIV Targeted Library HIVMARK contains compounds that are predicted to have potential anti-HIV activity. It has 6193 compounds that were filtered using our in-house algorithm based on similarity to known HIV inhibitors. This library has no more than 30 analogues for each reference compound with Tanimoto coefficient >0.9. All compounds in this library follow Rule-of-Five.

 

 Diversity Libraries:

Library “Broadway” provides you with full-scale selection of 32600 compounds, representing broad diversity of our whole 1,400,000 molecule stock. This is a library of choice if you want to cover wider range of possible interactions or looking to expand your compound selection.

Library “Avenue” is optimized for smaller scale assays. It consists of highly diverse selection of 3400 small molecules, with emphasis on keeping database size manageable without losing structural variety. This selection is the perfect way to boost your research Project.

We can also provide access to a special subset of our diversity library, filtered to minimize potential toxicity upon your request.

You can download special databases as well as our other products on this here. Libraries are available as 96 and 384-wells plate sets, as dry powder or frozen DMSO solutions, or on a dry film. We can provide collections in other formats, including your own, if requested. Partial purchase option is available.

We will also be happy to replenish molecules, should you require them later as well as supply you compounds with related structural properties.

If you have any specific needs for your project, we can provide adjusted compound library based on your request. Feel free to download the brochureFor any further questions and additional information,  please  contact our sales office:   This e-mail address is being protected from spambots. You need JavaScript enabled to view it

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