The State Key Laboratory of Drug Research affiliated to SIMM was established in October, 1990. The Laboratory focuses on drugs to treat major diseases, such as cancers, neurodegenerative diseases, cardiovascular diseases, metabolic diseases and infectious diseases which pose serious threats to human health. Both natural products and synthetic drugs are investigated by applying the state-of-the-art theories and technologies in chemistry and biology.

In 2004, the Laboratory was awarded as the “Advanced Unit of the State Key Laboratory Program” by Ministry of Science and Technology. From 2001 to 2011, the Laboratory was rated as "excellent" three times in succession in the State Key Laboratory Assessments. With the integration of multi-disciplinary knowledge, the Laboratory has become an important base to solve the major scientific problems in basic and applied drug discovery research.