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

Table 2.

CypD SAR of optimized ureas derived from merging of fragments 3 or 4 with the reference inhibitor 2.

# Structure Biochemical CypD FP assay
 Biochemical PPIase assay IC50 (µM)c SPR binding CypD
IC50 (µM)a LEb KD (µM)d LEe
14 graphic file with name fx7_lrg.gif 0.060 0.28 0.004 0.006 0.31
15 graphic file with name fx8_lrg.gif 3.6 0.21 nt 0.630 0.23
16 graphic file with name fx9_lrg.gif 1.7 0.23 nt 0.670 0.23
17 graphic file with name fx10_lrg.gif 3.5 0.24 7.4 1.10 0.25
18 graphic file with name fx11_lrg.gif 10 0.19 nt 7.0 0.19
19 graphic file with name fx12_lrg.gif 54 0.17 nt 39 0.17
20 graphic file with name fx13_lrg.gif 0.190 0.26 nt 0.180 0.25
21 graphic file with name fx14_lrg.gif >100 nt 260 0.13
22 graphic file with name fx15_lrg.gif 4.1 0.21 nt 2.3 0.21
23 graphic file with name fx16_lrg.gif >100 nt 420 0.12

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.