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. 2013 Jan 9;110(4):1315–1320. doi: 10.1073/pnas.1216526110

Table 1.

Structure-activity relationship of isoxazole-, 1,2,4-oxadiazole–, and isoxazoline-containing compounds

graphic file with name pnas.1216526110unfig01.jpg

Amt, amantadine; N.T., not tested; R, substitutions; Rim, rimantadine; X, N or C.

*Values represent the mean of three independent measurements. We typically see no more than 5% variation in the percent inhibition on a given day, or 10% error for measurements made on different days with different batches of oocytes. All compounds were initially tested at 100 μM. Compounds that showed greater than 80% inhibition at 100 μM were further tested at 30 μM. The data are presented as % inhibition at 100 μM/% inhibition at 30 μM.

S31N IC50s were calculated based on the equation derived from nonlinear regression curve fitting of a set of compounds with experimentally measured IC50s and % inhibition at 100 μM (more details are provided in SI Materials and Methods).