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. Author manuscript; available in PMC: 2021 Jul 9.
Published in final edited form as: J Med Chem. 2020 Jun 15;63(13):7186–7210. doi: 10.1021/acs.jmedchem.0c00456

Table 2.

Biochemical and Cellular Potency of Substituted Indoles

graphic file with name nihms-1704405-t0021.jpg
Compound R1 R2 TR-BD1 IC50 (nM)a CFR IC50 (nM)b LLEc
1 - - 199 ± 25.6 90 ± 4.4 -
10 graphic file with name nihms-1704405-t0022.jpg Me 96± 11.8 17 ± 0.8 4.677
11 graphic file with name nihms-1704405-t0023.jpg Et 48 ± 9.0 56 ± 1.6 3.630
19 graphic file with name nihms-1704405-t0024.jpg Et 158 ± 24.4 35 ± 1.1 3.079
20 graphic file with name nihms-1704405-t0025.jpg Me 175 ± 23.5 49 ± 1.9 3.462
21 graphic file with name nihms-1704405-t0026.jpg Me 600 ± 190.0 119 ± 4.7 3.383
22 graphic file with name nihms-1704405-t0027.jpg Me 174 ± 21.9 70 ± 2.6 4.062
23 graphic file with name nihms-1704405-t0028.jpg Me 180 ± 27.9 134 ± 6.4 5.789
24 graphic file with name nihms-1704405-t0029.jpg Me 161 ± 29.6 62 ± 2.3 4.858
25 graphic file with name nihms-1704405-t0030.jpg Et 83 ± 10.9 15 ± 0.5 2.997
26 graphic file with name nihms-1704405-t0031.jpg Me 12.9 ± 0.7 10 ± 0.7 6.297
27 graphic file with name nihms-1704405-t0032.jpg Et 5.9 ± 0.3 0.9 ± 0.03 6.814
28 graphic file with name nihms-1704405-t0033.jpg Et 9.4 ± 0.4 2.2 ± 0.09 5.897
a

TR-FRET assay BRD4(1) bromodomain IC50 values are reported as the mean ± SD.

b

Cell survival was normalized to DMSO control (100%) and JQ1 (3 μM) as 0% assessed in a 5-day cell proliferation assay with one time drug treatment. Data show the mean ± SEM from at least two cell passages (triplicates in each passage).

c

LLE (LipE) = pIC50 – cLogP; IC50 of growth inhibition was used for calculations.