PAINS Library

Special diverse selection of frequent hitters

320 compounds

Pan-Assay Interference Compounds (PAINS) are the most recognized filters among medicinal chemists. Since first publication in 2010 by John Bell these filters have become industry standard in Drug Discovery. While carefully removing all PAINS-related compounds from Enamine libraries we realized that these compounds can be very useful in HTS assay set-up & validation.

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Special diversity set of PAINS available for prompt delivery in various plated formats including the most popular listed below:

Catalog No.
Compounds
Amount
Format
Price

Catalog No.

PAINS-320-10-Y-10

Compounds

320
one plate

Amount

10 μL of 10 mM DMSO solutions

Plates and formats

384-well acoustic plates, Labcyte #PP-0200,
last two columns empty;

Price

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Catalog No.

PAINS-320-50-Y-10

Compounds

320
one plate

Amount

50 μL of 10 mM DMSO solutions

Plates and formats

384-well plates, Greiner #784201,
1, 2 and 23, 24 columns empty;
320 compounds per plate

Price

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Catalog No.

PAINS-320-100-X-10

Compounds

320
four plates

Amount

100 μL of 10 mM DMSO solutions

Plates and formats

96-well plates, Greiner #65021,
1 and 12 columns empty;
80 compounds per plate

Price

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Please request for any other options through our contact form. We will be happy to deliver our library in any convenient for your project formats.

Library design

The design is based on substructural motifs of known PAINS compounds. We used originally reported PAINS filters to identify a set of 75k+ in-stock compounds. This set was clustered using fingerprint-based approach and Tanimoto similarity distance calculations. The most populated clusters with at least 5 compounds were extracted and one representative example was selected from each cluster resulting in a library of 320 compounds. The library of most diverse 320 PAINS is available in plate format for your convenience. Examples are given below.

Key features

  • Represents the most common false positives
  • Substructure & scaffold diversity
  • All compounds suitable for storage as DMSO solutions

Example of structures and their specific PAINS filters

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