[en] A 3D lanthanide metal-organic framework (MOF) with the formula [Dy₂(L)₂(H₂O)₂]_n (1) (H₃L = biphenyl-3,4^',5-tricarboxylic acid) was synthesized under solvothermal conditions and structurally characterized by elemental analysis, powder X-ray diffraction analysis, infrared spectroscopy, and single-crystal X-ray diffraction analysis. Compound 1 features a 3D porous framework based on 1D rod-shaped Dy^III-carboxylate chains. The efficient encapsulation and controllable release of an anticancer drug (5-Fu) make it a promising drug delivery host. Furthermore, the GCMC simulation was used to probe the drug-framework interaction at the atomic lever. The in vitro anti-lung cancer activity of 1 and 5-Fu loaded 1a were also evaluated using MTT assay. (copyright 2018 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)