Assay Detail
Binding
CHEMBL3887326
Review assay metadata, readout intent, target linkage, and publication context from the same page.
CYP3A4 Inhibition Assay: The CYP3A4 inhibition assay was performed using human liver microsomes and testosterone 6'-hydroxylation as a P450 isoform-specific marker. In a total volume of 150 uL, 14C-testosterone at a final concentration of 40 uM in a 100 mM phosphate buffer (pH 7.4) was incubated in a 96-well plate with 0.3 mg/mL of human liver microsomes in an Eppendorf thermomixer at 37° C. and 400 rpm. A 1.0 uL-aliquot of the 150-fold concentrated compound stock solution, prepared in DMSO, was added to yield final inhibitor concentrations of 0, 0.1, 0.5, 1.0, 5.0, 10, 25, and 50 uM. The reaction was initiated by addition of 15 uL of the NADPH-regenerating system containing the glucose-6-phosphate dehydrogenase and terminated after 7 min with a 75 uL-aliquot of methanol. After centrifugation at 465 g and 4° C. for 20 min, a 50 uL-aliquot of the supernatant was submitted to HPLC according to the method described below.
165
Total Activities
165
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Homo sapiens |
| Tissue | Liver |
| Confidence | 8 — Homologous single protein target |
| Curated By | Autocuration |
Publication
2-(1,2,3-triazol-2-yl)benzamide and 3-(1,2,3-triazol-2-YL)picolinamide derivatives as orexin receptor antagonists
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 165 | 4.74 | 6.52 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL3967139 | — | — | 1 | 6.52 |
| CHEMBL3907374 | — | — | 1 | 6.22 |
| CHEMBL3920320 | — | — | 1 | 5.92 |
| CHEMBL3941085 | — | — | 1 | 5.92 |
| CHEMBL3967251 | — | — | 1 | 5.70 |
| CHEMBL3912376 | — | — | 1 | 5.50 |
| CHEMBL3917550 | — | — | 1 | 5.48 |
| CHEMBL3956147 | — | — | 1 | 5.29 |
| CHEMBL3905808 | — | — | 1 | 5.26 |
| CHEMBL3933744 | — | — | 1 | 5.22 |
| CHEMBL3950355 | — | — | 1 | 5.22 |
| CHEMBL3905303 | — | — | 1 | 5.21 |
| CHEMBL3909876 | — | — | 1 | 5.17 |
| CHEMBL3961204 | — | — | 1 | 5.13 |
| CHEMBL3959470 | — | — | 1 | 5.12 |
| CHEMBL3981385 | — | — | 1 | 5.11 |
| CHEMBL3946411 | — | — | 1 | 5.08 |
| CHEMBL3957175 | — | — | 1 | 5.07 |
| CHEMBL3977273 | — | — | 1 | 5.04 |
| CHEMBL3909380 | — | — | 1 | 5.04 |
| CHEMBL3926167 | — | — | 1 | 5.02 |
| CHEMBL3953726 | — | — | 1 | 5.02 |
| CHEMBL3956556 | — | — | 1 | 5.02 |
| CHEMBL3910117 | — | — | 1 | 5.01 |
| CHEMBL3915416 | — | — | 1 | 5.01 |
| CHEMBL3942007 | — | — | 1 | 5.01 |
| CHEMBL3943141 | — | — | 1 | 4.96 |
| CHEMBL3976034 | — | — | 1 | 4.89 |
| CHEMBL3901878 | — | — | 1 | 4.89 |
| CHEMBL3933736 | — | — | 1 | 4.89 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL3967139 | — | IC50 | = | 300.0 | nM | 6.52 |
| CHEMBL3907374 | — | IC50 | = | 600.0 | nM | 6.22 |
| CHEMBL3941085 | — | IC50 | = | 1200.0 | nM | 5.92 |
| CHEMBL3920320 | — | IC50 | = | 1200.0 | nM | 5.92 |
| CHEMBL3967251 | — | IC50 | = | 2000.0 | nM | 5.70 |
| CHEMBL3912376 | — | IC50 | = | 3200.0 | nM | 5.50 |
| CHEMBL3917550 | — | IC50 | = | 3300.0 | nM | 5.48 |
| CHEMBL3956147 | — | IC50 | = | 5100.0 | nM | 5.29 |
| CHEMBL3905808 | — | IC50 | = | 5500.0 | nM | 5.26 |
| CHEMBL3933744 | — | IC50 | = | 6000.0 | nM | 5.22 |
| CHEMBL3950355 | — | IC50 | = | 6000.0 | nM | 5.22 |
| CHEMBL3905303 | — | IC50 | = | 6100.0 | nM | 5.21 |
| CHEMBL3909876 | — | IC50 | = | 6800.0 | nM | 5.17 |
| CHEMBL3961204 | — | IC50 | = | 7400.0 | nM | 5.13 |
| CHEMBL3959470 | — | IC50 | = | 7500.0 | nM | 5.12 |
| CHEMBL3981385 | — | IC50 | = | 7700.0 | nM | 5.11 |
| CHEMBL3946411 | — | IC50 | = | 8400.0 | nM | 5.08 |
| CHEMBL3957175 | — | IC50 | = | 8500.0 | nM | 5.07 |
| CHEMBL3909380 | — | IC50 | = | 9100.0 | nM | 5.04 |
| CHEMBL3977273 | — | IC50 | = | 9200.0 | nM | 5.04 |
| CHEMBL3956556 | — | IC50 | = | 9600.0 | nM | 5.02 |
| CHEMBL3953726 | — | IC50 | = | 9600.0 | nM | 5.02 |
| CHEMBL3926167 | — | IC50 | = | 9600.0 | nM | 5.02 |
| CHEMBL3910117 | — | IC50 | = | 9700.0 | nM | 5.01 |
| CHEMBL3942007 | — | IC50 | = | 9800.0 | nM | 5.01 |
| CHEMBL3915416 | — | IC50 | = | 9700.0 | nM | 5.01 |
| CHEMBL3943141 | — | IC50 | = | 11000.0 | nM | 4.96 |
| CHEMBL3901878 | — | IC50 | = | 13000.0 | nM | 4.89 |
| CHEMBL3897210 | — | IC50 | = | 13000.0 | nM | 4.89 |
| CHEMBL3933736 | — | IC50 | = | 13000.0 | nM | 4.89 |
| CHEMBL3976034 | — | IC50 | = | 13000.0 | nM | 4.89 |
| CHEMBL3910447 | — | IC50 | = | 14000.0 | nM | 4.85 |
| CHEMBL3931693 | — | IC50 | = | 14000.0 | nM | 4.85 |
| CHEMBL3923356 | — | IC50 | = | 14000.0 | nM | 4.85 |
| CHEMBL3922678 | — | IC50 | = | 14000.0 | nM | 4.85 |
| CHEMBL3936704 | — | IC50 | = | 14000.0 | nM | 4.85 |
| CHEMBL3982996 | — | IC50 | = | 14000.0 | nM | 4.85 |
| CHEMBL3938872 | — | IC50 | = | 14000.0 | nM | 4.85 |
| CHEMBL3974746 | — | IC50 | = | 14000.0 | nM | 4.85 |
| CHEMBL3938822 | — | IC50 | = | 15000.0 | nM | 4.82 |
| CHEMBL3925326 | — | IC50 | = | 15000.0 | nM | 4.82 |
| CHEMBL3915231 | — | IC50 | = | 15000.0 | nM | 4.82 |
| CHEMBL3946888 | — | IC50 | = | 16000.0 | nM | 4.80 |
| CHEMBL3950474 | — | IC50 | = | 17000.0 | nM | 4.77 |
| CHEMBL3901849 | — | IC50 | = | 17000.0 | nM | 4.77 |
| CHEMBL3914317 | — | IC50 | = | 17000.0 | nM | 4.77 |
| CHEMBL3947667 | — | IC50 | = | 17000.0 | nM | 4.77 |
| CHEMBL3952666 | — | IC50 | = | 17000.0 | nM | 4.77 |
| CHEMBL3901217 | — | IC50 | = | 17000.0 | nM | 4.77 |
| CHEMBL3923760 | — | IC50 | = | 17000.0 | nM | 4.77 |