TDI kinetic parameters for dataset 4 (proprietary compound, inhibition of CYP3A4)
Data are presented as parameter estimate ± S.E. kprod is the rate constant for metabolite formation. Enzyme loss is modeled with the rate constant kloss.
| Numerical Method, EII Model | Replot Method | |||
|---|---|---|---|---|
| Repeat 1 | Repeat 2 | Repeat 1 | Repeat 2 | |
| KI (μM) | 59.0 ± 13.5 | 70.4 ± 13.7 | ||
| kinact (min−1) | 0.03 ± 0.004 | 0.04 ± 0.004 | ||
| kinact/KI (nM−1 min−1) | 0.51 ± 0.14 | 0.57 ± 0.12 | ||
| KI1 (μM) | 1.77 ± 0.12 | 1.85 ± 0.15 | ||
| KI2 (μM) | 500 (fixed) | 500 (fixed) | ||
| kinact1 (min−1) | 0.003 ± 0.001 | 0.003 ± 0.001 | ||
| kinact1/KI1 (nM−1 min−1) | 1.6 ± 0.5 | 1.6 ± 0.15 | ||
| kinact2/KI2 (nM−1 min−1) | 0.24 ± 0.024 | 0.28 ± 0.028 | ||
| kprod (min−1) | 10.2 ± 0.09 | 12.81 ± 0.14 | ||
| kloss (min−1) | 0.006 ± 0.0008 | 0.004 ± 0.001 | ||