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. 2021 Mar 3;12(4):555–562. doi: 10.1021/acsmedchemlett.0c00547

Table 2. In Vitro Potency Data for Compounds 28–41.

graphic file with name ml0c00547_0010.jpg

Compd R3 R5 TAK1 IC50a
28 α-methyl-2-(OCHF2)benzyl H >10
29 benzyl H >10
30 3-(OCHF2)benzyl H >10
31 2-(OCHF2)-3-(OMe)benzyl H >10
32 2-(OHCF2)-4-(OMe)benzyl H >10
33 2-(OCHF2)-5-fluorobenzyl H >10
34 2-(OCHF2)-5-chlorobenzyl H >10
35 2-(OCHF2)-6-fluorobenzyl H >10
36 2-(OCHF2)-6-chlorobenzyl H >10
37 2-(OCHF2)benzyl Me 0.5
38 2-(OCHF2)benzyl Et 1.0
39 2-(OCHF2)benzyl iPr >10
40 2-(OCHF2)benzyl R-Me 0.3
41 2-(OCHF2)benzyl S-Me 4.5
a

Biochemical Lanthascreen assay with TAK1–TAB1 fusion protein in the presence of 10 μM ATP, mean IC50 values in μM, n = 2.