Table 5.
Biophysical characterisation of compound of interest.
| Compound ID | IC50 Values (μM) | Mechanism of Inhibition with Respect to Both Acetoacetyl-CoA and NADH | Orthogonal Counter Screens: Evidence of Aggregation or Redox Cycling |
|---|---|---|---|
| 5 | 1.28 (95% CI 1.12–1.46) |
Mixed | None |
| 6 | 1.86 (95% CI 1.54–2.26) |
Mixed | None |
| 61 | 5.12 (95% CI 4.61–5.69) |
Mixed | None |
| 62 | 5.29 (95% CI 4.54–6.15) |
Mixed | None |
| 63 | 1.61 (95% CI 1.41–1.83) |
Mixed | 61% increase in 17β-HSD10 activity within aggregation assay |
| 64 | 5.21 (95% CI 4.42–6.13) |
Mixed | None |
| 65 | 2.61 (95% CI 2.31–2.94 |
Mixed | 28.5% increase in 17β-HSD10 activity within aggregation assay |
| 66 | 0.93 (95% CI 0.82–1.05) |
Mixed | None |
| 67 | 2.69 (95% CI 2.36–3.05) |
Mixed | 12.6% increase in 17β-HSD10 activity within aggregation assay |
| 78 | 6.83 (95% CI 5.34–8.75) |
Mixed | None |