Table 2.

Docking score and initial activity for most potent hit compounds.

Compound	Glide XP Score[a]	IC50 (μM)b	Kd (μM)c	Ki (μM)d
4	−6.875	1.6 ± 0.9	1.8	2.1
5	−6.061	6.7 ± 1.6	4.3	4.9
6	−5.542	4.9 ± 2.5	5.3	5.9
7	−5.485	9.7 ± 0.4	5.4	6.1
8	−5.182	11.0 ± 6.4	16.4	18.5
9	−5.222	11.4 ± 1.1	19.8	22.2
10	−5.082	13.7 ± 4.2	40.8	45.6
11	−4.946	9.8 ± 2.3	20.6	23.2

^[a]Glide Score from docking studies.

^[b]IC₅₀ values are the mean ± SEM of at least four separate experiments performed in triplicate.

^[c]K_d values were calculated via Equation 17 in Ref 17.

^[d]K_i values were calculated via the Cheng-Prusoff Equation.