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. 2018 Oct 1;9(10):1019–1024. doi: 10.1021/acsmedchemlett.8b00300

Table 1. Validation of the Halogen Bonding Interaction in Compound 2.

graphic file with name ml-2018-003008_0004.jpg

ID R IC50 (nM)a Ki (nM)b
3 -H 1641.3 ± 221.2 151.3 ± 20.7
4 -F 403.4 ± 53.1 53.3 + 13.7
5 -Cl 46.9 ± 4.8 6.3 ± 0.9
2 -Br 35.4 ± 1.7 5.8 ± 1.2
6 -I 23.3 ± 3.7 1.7 ± 0.4
7 -CH3 459.4 ± 118.2 19.8 ± 4.8
8 –OH n.a.c 313.5 ± 43.0
a

The IC50 values were determined for each compound (mean ± SEM) from two independent tests.

b

The Ki values were determined for each compound (mean ± SEM) from three independent tests.

c

Not active, <50% inhibition at 10 μM concentration.