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. Author manuscript; available in PMC: 2024 Nov 13.
Published in final edited form as: J Chem Inf Model. 2023 Oct 17;63(21):6681–6695. doi: 10.1021/acs.jcim.3c00780

Table 3.

Beta-lactamase inhibitory activity of compound Top1 and Top2 at different concentrations with IC50 and Ki value.

concentration ug/ml BL inhibitory activity
Log10 Top1 Top2 abcam Clavulanic acid
0.03 −1.5 0.921 0.875 0.9345
0.09 −1.0 0.829 0.758 0.8498
1 0 0.745 0.685 0.753
5 0.6 0.549 0.567 0.623
10 1 0.43 0.457 0.53
50 1.6 0.198 0.198 0.239
100 2 0.076 0.098 0.09
150 2.1 0.045 0.0547 0.02
200 2.3 0.0184 0.0432 0.015
IC 50 , μM 200 220.8 189.3
K i , μM 41.15 45.41 38.94