In the supramolecular chemistry field, coordination-driven self-assembly has provided the basis for tremendous growth across many subdisciplines, spanning from fundamental investigations regarding the design and synthesis of new architectures to defining different practical applications. Within this framework, supramolecular coordination complexes (SCCs), defined as large chemical entities formed from smaller precursor building blocks of ionic metal nodes and organic multidentate ligands, resulting in intricate and well-defined supra molecular structures, hold great promise. Notably, interest in the construction of discrete 3D molecular architectures, such as those offered by SCCs, has experienced extraordinary progress because of their potential application as sensors, catalysts, probes, and containers and in basic host guest chemistry. Despite numerous synthetic efforts and a number of inherent favorable properties, the field of 3D SCCs for biomedical applications is still in its infancy. This Viewpoint focuses on 3D SCCs, specifically metallacages and helicates, first briefly presenting the fundamentals in terms of the synthesis and characterization of their host guest properties, followed by an overview of the possible biological applications with representative examples. Thus, emphasis will be given in particular to metallacages as drug delivery systems and to chiral helicates as DNA recognition domains. Overall, we will provide an update on the state-of-the-art literature and will define the challenges in this fascinating research area at the interface of different disciplines.