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. 2022 Dec 22;13:1094887. doi: 10.3389/fphar.2022.1094887

TABLE 2.

The docking scores and biological data of four hits.

Name Docking score [kcal/mol] K d (nM) IC50 (nM) a
Hit compound 1 −11.56 0.98 ± .09 212.23
Hit compound 2 −11.69 0.46 ± .08 89.96
Hit compound 3 −11.75 0.13 ± .05 43.80
Hit compound 4 −11.61 0.76 ± .11 145.97
TH-Z835 −10.04 1.08 ± 0.07 µM >300
a

IC50 (nM) is the concentration of compound needed to inhibit cell growth by 50% following 72 h cell treatment with hit compounds 1-4 and TH-Z835, respectively.