ChEMBL is a database of bioactive, drug-like small molecules that contains 2D structures, calculated properties (e.g. molecular weight and Lipinski's rule of five) and abstracted bioactivity data (e.g. binding data and IC50) from multiple primary scientific journals. The database covers about 30 years of compound synthesis and testing and also contains annotated FDA-approved drugs. An example of a ChEMBL compound card in shown in Figure 12. 

ChEMBL compound report card

Figure 12 ChEMBL compound report card.

Learn more about ChEMBL

If you would like to know more about ChEMBL have a look at the ChEMBL quick tour.