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. Author manuscript; available in PMC: 2018 Aug 1.
Published in final edited form as: Bioorg Med Chem. 2017 May 19;25(15):3947–3963. doi: 10.1016/j.bmc.2017.05.032

Table 3.

Comparison of Heterocyclic Groups Interacting with the Catalytic Aspartates.

graphic file with name nihms883163u3.jpg
Cmpd X R1 R2 IC50 (μM) Ligand Efficiency
6c N Et NH2 0.512a,17 0.34
12 CH Me Me 16.8 0.27
13 CH Et Me 0.491 0.34
14 CH H OMe >100 -
15 CH Et OMe 0.500 0.33
1 (Aliskiren) - - - 0.003b,27 0.30
a

Lit. IC50 = 0.691 μM, Kd = 0.535 μM.

b

Lit. IC50 = 0.0006 μM.