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. Author manuscript; available in PMC: 2019 May 17.
Published in final edited form as: J Mol Graph Model. 2018 Mar 22;81:197–210. doi: 10.1016/j.jmgm.2018.03.005

Table 2.

TR-FRET and Docking affinities for THQ analogs bound to BRD2 bromodomains

Model BD1
pIC50
BD2
pIC50
TR-
FRET
BD2/BD1
Dock
BD1 pKd
Dock
BD2 pKd
Dock
BD2/BD1
5 5.69 6.21 3.3 7.24 7.56 2.1
6 5.75 6.08 2.1 7.46 7.65 1.5
7 5.85 5.85 1.0 7.40 7.56 1.4