ChEMBL Resources

Resources:
ChEMBL
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SureChEMBL
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ChEMBL-NTD
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ChEMBL-Malaria
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The SARfaris: GPCR, Kinase, ADME
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UniChem
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DrugEBIlity
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ECBD

Tuesday, 17 March 2009

Protein Ligand Affinity Databases

I came across a nice tabular summary of some existing 'public' 'primary' protein-ligand interaction databases that primarily focus on protein-ligand affinity data (so Ki, Kd, IC50, EC50, etc.), that I have reproduced below (many thanks to Helena Strömbergsson, from Uppsala University for the data).

NameTarget Class FocusApprox size
BindingDBAll~48,000
PDSPReceptors~47,000
BRENDAEnzymes~19,000
BindingMOADAll~3,500
PDBBindAll~3,500
AffinDBAll~700
PLDAll~500

The comparable number from StARlite (31) are 507,645 (of which 186,370 are better than 100nM) for affinity class end-points. Oh, and we have started a new load.....

1 comment:

bolton said...

This shows how putting this data in the public sector will be a huge boon for scientific researchers! It will also lead many to say "I want that! When can I get it?!" :-)

Keep up the great work!