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Therapy that used to cancer survivor are limited to chemotherapy, radiation, and surgery. In addition to the expensive drugs, the side effect is still fraught with several challenges by killed the normal cell. One of nature, potential to developed is Bandotan Herbs (Ageratum conyzoides L.) which proved has chemopreventive potency. Its nobiletin compound allegedly potential to be chemopreventive agents in breast cancer. This study aims to know the compound and potential binding between nobiletin with VEGF and COX-2 as protein targets compared to a chemotherapy drug, 5-FU. The method used computational analysis with molecular docking principle with Autodock Vina, Haematoxyllin-Eosin Staining and Thin Layer Chromatography (TLC). The obtained results are nobiletins score docking against VEGF -7,6 kcal/mol and against COX-2 is -7,5 kcal/mol. While score docking for 5-FU against VEGF is -4,7 kcal/mol and against COX-2 is -5,2 kcal/mol. Based on TLC with BAW 3:1:1 as motion phase shows that Chloroform Fraction Bandotan Herbs have containing of flavonoid (Rf 0,73; 0,84; 0,9). Have different component in structural tissue of mammary gland with the sample of HE stains. It can be concluded that Chloroform Fraction Bandotan Herbs has the potential to be developed into chemopreventive agents in breast cancer