Observed and predicted IC50 values for diverse molecules tested as inhibitors of CYP51 that were fast-fit to the Catalyst CYP51 pharmacophore
Inhibitor | Observed in Vitro IC50a | Predicted Catalyst Fast-Fit IC50a | |
|---|---|---|---|
| μM | |||
| Cholesterol | >200 | 96 | |
| Erythromycin | >200 | 89 | |
| Sulfaphenazole | >200 | 16 | |
| Tolbutamide | >200 | 120 | |
| Fluconazole | >200 | 96 | |
| Propafenone | >200 | 17 | |
| Progesterone | >200 | 92 | |
| Arachidonic acid | >200 | 92 | |
| Chlorpropamide | >200 | 92 | |
| Anandamide | >200 | 90 | |
| Sulfinpyrazone | >200 | 93 | |
| Triarimol | >10 | 0.85 | |
| Bifonazole | 0.342 | 140 | |
| Azaconazole | >10 | 0.88 | |
| Econazole | 0.05 | 0.51 | |
| Lovastatin | >200 | 89 | |
| Pregnenolone | >200 | 98 | |
| Terconazole | 3 | 0.43 | |
| Itraconazole | 3.6 | 0.82 | |
↵ a Experimental data are the average of triplicate determinations.