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. Author manuscript; available in PMC: 2013 Sep 16.
Published in final edited form as: Bioorg Med Chem Lett. 2011 Jan 14;21(5):1371–1375. doi: 10.1016/j.bmcl.2011.01.037

Table 2.

Grid Docking score and MDIR correlation to KDR inhibitory activity.

Dock Scorea MDIRb Reported KDR Inhibition10 Measuredc KDR Inhibition
graphic file with name nihms507620t1.jpg
10		 −27.8 172 IC50 = 800 nM 4% @ 10 μM (n=2)
graphic file with name nihms507620t2.jpg
14		 −27.3 192 NR 66% @ 10 μM (n=2)
graphic file with name nihms507620t3.jpg
20		 −33.9 192 IC50 = 2 nM 37% @ 20 μM (n=2)
graphic file with name nihms507620t4.jpg
21		 −29.6 199 IC50 = 19 nM 46% @ 25 μM (n=2)
a

Grid Scoring from Flexible Docking (kcal/mol).

b

amu/cm.

c

Percent inhibition KDR ELISA assay (20 μM ATP) with HTSscan.