assay
97%
SMILES string
CC(Oc1cc(Cl)c(Cl)cc1Cl)C(O)=O
InChI
1S/C9H7Cl3O3/c1-4(9(13)14)15-8-3-6(11)5(10)2-7(8)12/h2-4H,1H3,(H,13,14)
InChI key
ZLSWBLPERHFHIS-UHFFFAOYSA-N
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Emeline L Maillet et al.
Journal of medicinal chemistry, 52(21), 6931-6935 (2009-10-13)
We show that phenoxyauxin herbicides and lipid-lowering fibrates inhibit human but not rodent T1R3. T1R3 as a coreceptor in taste cells responds to sweet compounds and amino acids; in endocrine cells of gut and pancreas T1R3 contributes to glucose sensing.
Lourdes Santana et al.
Journal of medicinal chemistry, 51(21), 6740-6751 (2008-10-07)
The work provides a new model for the prediction of the MAO-A and -B inhibitor activity by the use of combined complex networks and QSAR methodologies. On the basis of the obtained model, we prepared and assayed 33 coumarin derivatives