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. 2019 Oct 16;29(23):126717. doi: 10.1016/j.bmcl.2019.126717

Table 3.

CypD SAR of optimized oxalamides derived from merging the fragment hits 3 or 4 with fragment hit 8.

# Structure Biochemical CypD FP assay
 Biochemical PPIase assay IC50 (µM)c SPR binding CypD
IC50 (µM)a LEb KD (µM)d LEe
27 graphic file with name fx17_lrg.gif 2 0.29 1.5 2.8 0.28
28 graphic file with name fx18_lrg.gif 44 0.22 nt 23 0.21
29 graphic file with name fx19_lrg.gif >100 nt >1500
30 graphic file with name fx20_lrg.gif 870 0.16 nt 217 0.19
31 graphic file with name fx21_lrg.gif >100 nt 184 0.16
32 graphic file with name fx22_lrg.gif >30 nt >240

a,bCypD biochemical FP and PPIase assays. c,eLigand binding efficiencies (LE) based on biochemical FP IC50s or SPR KDs. dCypD SPR binding assay. nt = not tested.