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. Author manuscript; available in PMC: 2021 May 13.
Published in final edited form as: J Comput Aided Mol Des. 2011 Sep 9;25(9):873–883. doi: 10.1007/s10822-011-9469-2

Table 2.

Set of 35 6-hydroxybenzofuran-5-carboxylic acid inhibitors (34 new analogs and I-C11 as 478) [23]

graphic file with name nihms-1698854-t0009.jpg
Compound R1 R2 R3 R4 IC50, μM
478 graphic file with name nihms-1698854-t0010.jpg H H H 4.50
479 graphic file with name nihms-1698854-t0011.jpg H H H 3.22
480 graphic file with name nihms-1698854-t0012.jpg H H H 1.49
481 graphic file with name nihms-1698854-t0013.jpg H H H 0.56
482 graphic file with name nihms-1698854-t0014.jpg H H H 0.71
483 graphic file with name nihms-1698854-t0015.jpg H H H 3.84
486 graphic file with name nihms-1698854-t0016.jpg H H Me 4.86
491 graphic file with name nihms-1698854-t0017.jpg H H H 3.10
492 graphic file with name nihms-1698854-t0018.jpg H H H 0.77
495 graphic file with name nihms-1698854-t0019.jpg H H H 0.91
496 graphic file with name nihms-1698854-t0020.jpg H H H 2.21
499 graphic file with name nihms-1698854-t0021.jpg H H H 2.64
522 graphic file with name nihms-1698854-t0022.jpg Me H H 0.41
523 graphic file with name nihms-1698854-t0023.jpg Me H H 1.11
524 graphic file with name nihms-1698854-t0024.jpg Me H H 0.64
525 graphic file with name nihms-1698854-t0025.jpg Me H H 0.38
526 graphic file with name nihms-1698854-t0026.jpg Me H H 0.27
527 graphic file with name nihms-1698854-t0027.jpg Me H H 3.44
528 graphic file with name nihms-1698854-t0028.jpg Me H H 0.90
529 graphic file with name nihms-1698854-t0029.jpg Me H H 1.18
530 graphic file with name nihms-1698854-t0030.jpg Me H H 1.35
531 graphic file with name nihms-1698854-t0031.jpg Me H H 2.01
532 graphic file with name nihms-1698854-t0032.jpg Me H H 1.80
569 graphic file with name nihms-1698854-t0033.jpg H Me H 6.20
577 graphic file with name nihms-1698854-t0034.jpg H Me H 2.35
584 graphic file with name nihms-1698854-t0035.jpg MeO H H 0.34
586 graphic file with name nihms-1698854-t0036.jpg MeO H H 0.34
604 graphic file with name nihms-1698854-t0037.jpg H Me H 5.02
609 graphic file with name nihms-1698854-t0038.jpg H Me H 0.65
610 graphic file with name nihms-1698854-t0039.jpg Me H H 0.97
611 graphic file with name nihms-1698854-t0040.jpg H H H 0.74
612 graphic file with name nihms-1698854-t0041.jpg H Me H 0.65
619 graphic file with name nihms-1698854-t0042.jpg Me H H 0.48
630 graphic file with name nihms-1698854-t0043.jpg H Me H 0.52
636 graphic file with name nihms-1698854-t0044.jpg H Me H 0.61