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. 2013 Nov 21;10:144. doi: 10.1186/1742-4690-10-144

Table 1.

Structure and activity of IN-LEDGF inhibitors designed in this study

Compound Structure MW (g/mol) Biochemical assays
 MT4 assays
CCD-IBD IC 50 (μM) IN-LEDGF IC 50 (μM) IN ST IC 50 (μM) plateau (%) NL4-3 EC 50 (μM) HxB2 EC 50 (μM) CC 50 (μM)
Mut029*
graphic file with name 1742-4690-10-144-i1.gif
 391
 1.7
 2.5
 NT
 3.8
 3.8
 >50
Mut047*
graphic file with name 1742-4690-10-144-i2.gif
 390
 3.8
 7.9
 0.88 70%
 16
 19
 >50
Mut049
graphic file with name 1742-4690-10-144-i3.gif
 355
 18
 3.5
 0.18 56%
 2.0
 0.75
 >50
Mut062*
graphic file with name 1742-4690-10-144-i4.gif
 394
 2.7
 3.1
 0.54 73%
 3.3
 1.3
 >50
Mut063
graphic file with name 1742-4690-10-144-i5.gif
 433
 >100
 >100
 >100 ND
 >50
 NT
 >50
Mut075
graphic file with name 1742-4690-10-144-i6.gif
 353
 14
 4.0
 NT
 3.4
 1.0
 >50
Mut101*
graphic file with name 1742-4690-10-144-i7.gif
 410 0.23 0.20 0.17 66% 0.54 0.092 >50

Structure, molecular weight, and activities of compounds. NT = not tested. *compounds that have been co-crystallized with IN-CCD; IC50 = concentration required to inhibit CCD-IBD interaction, IN-LEDGF interaction or IN strand transfer activity by 50%; EC50 = concentration required to inhibit HIV-1 infection of MT4 cells by 50%; CC50 = concentration required to inhibit MT4 cell viability by 50%.