 EXPRESS-Pick™
A collection of 450,000 quality verified, druglike, diverse, small molecule compounds, available for your custom selection. These compounds are sourced by ChemBridge through collaborations and researchers and are readily available from our stock in mg or µmol amounts.
Subsets of EXPRESS-Pick™
DIVERSet™ - A "universally" diverse collection of 50,000 drug-like small molecules. The set is rationally selected based on 3D pharmacophore analysis to cover the broadest part of biologically relevant pharmacophore diversity space. A highly recognized and proven primary screening tool for a wide range of both validated and new biological targets.
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MicroFormats™ - A ready to screen collection of 100,000 to 200,000 small molecules, pre-plated in DMSO in 0.1mg to 5mg amounts and in equivalent micromole amounts. Over 60 proprietary chemical filters and Daylight Tanimoto similarity measures assure structural diversity, and druglikeness of compounds in this collection.
MW Set (Molecular Weight Set) - A collection of 30,000 compounds plated in sequential order of increasing molecular weight and can be ordered within particular molecular weight ranges. Rationally selected for druglike properties such as diversity, low molecular weight (250-450), and lower polar surface area, rotatable bond, hydrogen donor, and hydrogen acceptor value ranges to provide room for future lead optimization, after hits are validated.
Fragment Library - A collection of approximately 5,000 compounds rationally selected according to various diversity parameters and Astex Rule of Three considerations (MW ≤ 300, H-bond donors ≤ 3, H-bond acceptors ≤ 3, cLogP ≤ 3). The library contains fragments with both free and protected functionality. Structural diversity of the Fragment Library has been independently assessed, confirming that the overall selection displays good diversity.
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CNS-Set™ - A collection of 60,000 druglike, small molecule compounds, selected with medicinal chemistry expertise. Computational analysis of CNS-Set includes Polar Surface Area, Lipinski's Rule of 5, and other desirability and drug-like filters, which increase probability of finding leads with oral bio-availability and blood-brain barrier penetration.
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KINASet - A computationally selected collection of 12,000 compounds utilizing a ligand-based pharmacophore selection method. This method selects compounds that have pharmacophores which are required for interaction with part of the ATP active site plus additional diverse pharmacophores that are required to give the possibility for interactions with the inactive forms of specific members of the kinase protein family. This selection method and the library have been validated in silico as well as by in vitro kinase inhibition screening.
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ION Channel Set – 8,000 compounds matching published Ion-Channel modulator pharmacophores that cover ligand gated : 5-HT3, GABA, Glycine, nAChR, and PCP receptors, and voltage dependent ion channel targets. [Details]
Compound Acquisition Process
For over 15 years, ChemBridge has been acquiring compounds for the drug discovery industry. We apply stringent drug-like property parameters (over 60 filters) and medicinal chemistry expertise when acquiring compounds available from thousands of laboratories in 12 countries. The process has yielded 500,000 handcrafted and diverse small molecule compounds in stock and new compounds added annually from our growing Master Database of >5 million small molecules that are potentially available.
For more information contact sales@chembridge.com.
Click here to view Publications that cite ChemBridge screening libraries.
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