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. Author manuscript; available in PMC: 2020 Jun 24.
Published in final edited form as: Angew Chem Int Ed Engl. 2016 Aug 17;55(38):11382–11386. doi: 10.1002/anie.201603928

Table 1. Micromolar lead to nanomolar ATAD2 inhibitors. For statistics see Table S1a, Supporting Information.

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2 3 4 5 6 7 8 9
ATAD2 TR-FRET pIC50 5.6 7.2 6.9 6.7 6.9 6.5 7.4 7.1
ATAD2 Bromosphere pIC50 5.4 7.4 7.3 6.5 7.5 7.0 7.2 7.1
BRD4 BD1 TR-FRET pIC50 5.4 5.4 5.0 5.8 4.8 4.1 5.2 5.1
TR-FRET selectivity (logs) 0.2 1.8 1.9 0.9 2.1 2.4 2.2 2.0
Chrom logD (pH 7.4) 3.3 2.1 0.4 4.0 1.6 2.3 3.0 4.1
Polar surface area [Å2] 79 113 152 92 126 117 92 83
Artificial membrane permeability (nms−1, pH 7.4) 130 <3 <3 138 <3 <10 86 395