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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 1.

Grid Docking score and MDIR correlation to KDR inhibitory activity of 4-Aminoquinazolines

graphic file with name nihms507620u1.jpg
Cmpd R Dock Scorea MDIRb KDR Inhibitionc
10 4′-Chloro-anilino −27.8 172 4%
11 3′,4′-Difluoro-anilino −24.9 178 5%
12 3′-Chloro-4′-methyl-anilino −25.0 180 9%
13 4′-Fluoro-anilino −24.8 184 6%
14 3′-fluoro-4′-methyl-anilino −27.3 192 66%
15 Anilino −25.1 194 19%
16 Ethoxyl −25.7 200 0%
17 Isopropoxyl −25.5 207 2%
18 Isopropyl amine −26.3 215 13%
19 Cyclohexyl amine −26.0 234 17%
a

Grid Scoring from Flexible Docking (kcal/mol).

b

amu/cm.

c

Percent inhibition (average taken from n of 3 performed on separate days) KDR ELISA assay (20 μM ATP) at 10 μM final compound concentration.