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. Author manuscript; available in PMC: 2017 Oct 1.
Published in final edited form as: Bioorg Med Chem. 2016 Jul 29;24(19):4536–4543. doi: 10.1016/j.bmc.2016.07.055

Table 3.

Preliminary Structure-Activity Relationship (SAR) of HTS hit analogs.

graphic file with name nihms808643t1.jpg
Compound MW R1 R2 KDa (µM) KD (µM) with
1 mM Ca-asp
6 308.8 -OCH3 graphic file with name nihms808643t2.jpg 380 ± 1 314 ± 34
6a 202.3 -OCH3 graphic file with name nihms808643t3.jpg 588 ± 38 675 ± 12
6b 186.3 -CH3 graphic file with name nihms808643t4.jpg NBb NBb
6c 176.2 -OCH3 -2-CH2NH2 NBb NTc
7 276.3 -F graphic file with name nihms808643t5.jpg 67 ± 7 >1 mM
7a 288.4 -OCH3 graphic file with name nihms808643t6.jpg 119 ± 13 144 ± 69
8 244.3 -OCH3 graphic file with name nihms808643t7.jpg 205 ± 8 215 ± 2
a

KD: Equilibrium dissociation constant determined by SPR; the standard deviation are from three independent experiments.

b

NB: Non-specific binding pattern

c

: NT: Not tested