TDI kinetic parameters for dataset 5 (proprietary compound, inhibition of CYP2B6)
Data are presented as parameter estimate ± S.E. kprod is the rate constant for metabolite formation, and krev is the rate constant for the reversible component of inactivation. Enzyme loss is modeled with the rate constant kloss.
| Numerical Method, EII–Quasi-Irreversible Model | Replot Method (All Data) | Replot Method (Linear Region) | |
|---|---|---|---|
| KI (μM) | 126 ± 29 | 95 ± 29 | |
| kinact (min−1) | 0.035 ± 0.003 | 0.045 ± 0.005 | |
| kinact/KI (nM−1 min−1) | 0.28 ± 0.07 | 0.47 ± 0.15 | |
| KI1 (μM) | 2.38 ± 0.22 | ||
| KI2 (μM) | 226 ± 81 | ||
| kinact1 (min−1) | 0 (fixed) | ||
| kinact2 (min−1) | 0.097 ± 0.03 | ||
| kinact1/KI1 (nM−1 min−1) | 0 (fixed) | ||
| kinact2/KI2 (nM−1 min−1) | 0.43 ± 0.20 | ||
| kprod (min−1) | 14.4 ± 0.21 | ||
| krev (min−1) | 0.028 ± 0.008 | ||
| kloss (min−1) | 0.0096 ± 0.0008 |