P212121

The BindingDB collects experimentally determined binding affinities of proteins and ligands (small molecules) that bind via non-covalent interactions. This database can be convenient in that it cuts through reading entire papers, if you are only look for experimental results.
What type of enzymatic assays have been run?
What type of concentrations have been used?
What type of affinities can I expect?

BindingDB includes the basics such as searching by name and sequence via BLASTP. You can also draw the chemical structure of the ligand, if needed. If you need the information in a particular format the database contains a monomer list in csv and Het list in SDF.

You can also use this database to find substrates and competitors that were used as binding substrates. Isothermal Titration Calorimetry (ITC) experiments can be searched by pH range in KJ/mole or kcal/mole. The ITC values can also be searched by each component in Gibb’s free energy (free energy, enthalpy and entropy). The Ki, IC50, Kd and EC50 values are available and can be searched in combination with molecular weight.

The database also has an author table, allows users to upload experimental data and contains PubChem BioAssay aid (identification input) information. Often crystallographers consider bringing together biophysical techniques to study their system of interest. This database can serve as an excellent resource in determining what has been done and gain an idea of what values may be expected. Great Stuff.