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. Author manuscript; available in PMC: 2015 Nov 15.
Published in final edited form as: Bioorg Med Chem. 2014 Sep 28;22(22):6409–6421. doi: 10.1016/j.bmc.2014.09.043

Table 3.

Sources and calculated properties of virtual screening hits

Compound # CDK5/ p25 Glide Score CDK2 Glide Score Sources LogP (o/w) LogBB # Metab
5 −7.827 −3.673 Synthesized in-house 2.066 −0.823 2
6 −8.201 −4.069 Chem Bridge 4.071 −1.193 3
7 −9.221 −4.775 Ryan Sci. 3.685 −1.664 5
8 −7.582 −3.973 Ryan Sci. 1.233 −1.767 2
9 −8.007 −4.332 Chem Div 2.557 −2.107 6
10 −9.469 −5.539 Synthesized in-house 2.548 −1.020 4
11 −8.612 −5.240 Chem Bridge 4.134 −1.023 5
12 −8.908 −5.570 Ryan Sci. 1.522 −1.329 5
13 −7.864 −5.065 Chem Div 3.802 −1.115 3
14 −9.730 −8.117 Synthesized in-house 1.418 −1.027 2