Table 2 CC50 (µM), EC50 (µM) and SI values for NSC47715, NSC85561 and NSC7223.

From: Potent sialic acid inhibitors that target influenza A virus hemagglutinin

Compounds

CC50

EC50

SI

Scorea

Energyb

VDWb

HBondb

Elecb

2-D structure

NSC47715

 > 1000

0.29 ± 0.02

 > 3448

3.233

–126.11

–72.98

–49.83

–3.30

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NSC85561

700

2.42 ± 0.11

289

3.228

–123.49

–69.96

–50.27

–3.25

NSC7223

900

2.50 ± 0.76

360

3.227

–127.09

–71.48

–53.31

–2.30

  1. The EC50 value is presented as the mean ± standard deviation.
  2. CC50 cytotoxic concentration 50%, EC50 half-maximal effective concentration, VDW van der Waals force, Elec electrostatic force.
  3. aFrom SiMMap.
  4. bFrom iGEMDOCK.