In 2020, Indonesia had a total of 65.858 new breast cancer cases and the mortality rate reached 17 per 100,000 population in 2021. Human Epidermal Growth Factor Receptor 2 or Receptor, ErB-2 is a protein that is often used as a target for developing breast cancer drugs. Nowadays, an alternative drug from natural compounds has been developed to overcome the dangerous effect of the chemical drugs, for example by using Eichhornia extract. Due to its low solubility in water and bioavailability, it can be modified by a nanostructured lipid carrier as a sender. Therefore, this study aimed to determine the bioactive compounds in Eichhornia extract that can potentially act as Receptor, ErB-2 inhibitors when encapsulated in nanostructured lipid carriers. However, a nanostructured lipid carrier was constructed by encapsulating Eichhornia extract in vitro. According to the results of molecular docking simulations, luteolin, 2-hydroxy-8-(4 hydroxyphenyl)-phenalene-1-one, and 2-hydroxy-8-(3,4-dihydroxyphenyl)-phenalen-1-one have the highest bond energies and exceed the bond energy of the native ligand. The characterization test showed that the manufacturer’s nanostructured lipid carriers had an average size of 471.3 nm, a PDI of 0.507, a pH of 6.20, and a viscosity of 0.896 mPa·S. This nanostructured lipid carrier prototype has been successfully synthesized and nearly met the nanodrug characteristics. This present study could give a new insight in developing drug delivery that alleviate the harmful side effects of cancer chemotherapy.