Targeted and
Specialty Libraries

Kinase
Kinase Focused, Lead-like and Drug-like Compounds

The KINACore Library is a computationally selected library of more than 20,000 lead-like and drug-like
small molecules. More than 420 novel scaffolds are represented in the KINACore Library, and in-stock
analogs are available for any compound identifi ed as a hit. The KINACore Library compounds were
selected based on either similarity to 3D pharmacophore fingerprints generated from published kinase
actives or based on matching pharmacophores generated from the adenosine portion of ATP.

Highlights
  • Lead-like and Drug-like compounds based on novel scaffolds
  • Potential activity against a wide range of kinases
  • Custom select from more than 20,000 compounds

View the KINACore / KINASet Libraries product sheet

Method

For KINACore Library compounds based on published actives: Compounds showing activity against
kinase targets were extracted from public, scientific databases and used to generate 3D pharmacophore
fingerprints based on low energy 3D conformers. These fingerprints were then compared to the 3D
pharmacophore fingerprints generated for virtual compounds based on novel scaffolds designed by
ChemBridge. Virtual compounds with a high similarity to a published active fingerprint were synthesized
and included in the KINACore Library selection. For KINACore compounds based on the adenosine
moiety of ATP: These compounds were selected according to the same method used to select KINASet
Library compounds from the EXPRESS-Pick Collection stock.

Potential Targets

Characteristics

KINACore Library compounds are lead-like and drug-like and have the following physiochemical and
calculated property averages and ranges:

  • Molecular Weight: Average = 353; Range = 240 to 500
  • Fsp3: Average = 0.53; Range = 0.1 to 0.9
  • H-bond Donors: Average = 1; Range = 0 to 3
  • H-bond Acceptors: Average = 4; Range = 1 to 7
  • clogP: Average = 1.6; Range = 1.8 to 5.4
  • TPSA: Average = 59; Range = 20 to 110
Format
  • Download structures and custom select compounds from the KINACore Library SDfile
  • Compounds can be provided in 96-well and 384-well format
  • Amounts as low as 0.25 micromole (25ul of 10mM DMSO solution) available
  • Compounds are available as DMSO solutions or dry in micromole or mg amounts

For more information or a file of compound structures, please contact ChemBridge Sales