Recently, metal-based drugs have attracted relentless interest in the biomedical field. However, their short excitation/emission wavelengths and unsatisfactory therapeutic efficiency limit their biological applications in vivo . Currently, the second near-infrared window (NIR-II, 1000-1700 nm) provides more accurate imaging and therapeutic options. Thus, there has been a constant focus on developing multifunctional NIR metal agents for imaging and therapy that have deeper tissue penetration. Fortunately, supramolecular coordination complexes (SCCs) formed by the coordination-driven self-assembly of NIR-II emissive ligands can address the above issues. Importantly, metal receptors with chemotherapeutic properties in SCCs can bind to luminescent ligands, thus becoming a versatile therapeutic platform for chemotherapy, imaging and phototherapy. In this context, we systematically summarize the evolution of NIR-II emissive SCCs for biomedical applications and discuss future challenges and prospects.