Assay Detail
Binding
CHEMBL5730842
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Fluorescence Assay: 50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates. 20 μl of assay buffer (final concentrations 50 mM Tris HCl pH 7.8, 50 mM NaCl, 1% DMSO) was pipetted in. The reaction was started by adding 30 μl of solubilised Caco-2 protein (final concentration 0.14 μg of protein per well). The test substances to be investigated were typically added prediluted in 20 μl, and the volume of assay buffer was then reduced accordingly. The reaction was carried out at ambient temperature, incubating for 60 minutes. Then the fluorescence was measured in a Victor 1420 Multilabel Counter, the excitation wavelength being 405 nm and the emission wavelength being 535 nm. Blank readings (corresponding to 0% activity) were obtained in mixtures without any Caco-2 protein (volume replaced by assay buffer), control values (corresponding to 100% activity) were obtained in mixtures with no substance added. The potency of the test substances in question, expressed as IC50 values, was calculated from dosage/activity curves consisting of 11 measuring points in each case.
138
Total Activities
46
Compounds Tested
3
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Homo sapiens |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Publication
8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and thier use as pharmaceutical compositions
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 46 | 8.22 | 9.00 |
| kon | 46 | - | - |
| k_off | 46 | - | - |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL3965981 | — | — | 3 | 9.00 |
| CHEMBL237500 | LINAGLIPTIN | 4.0 | 3 | 9.00 |
| CHEMBL3903787 | — | — | 3 | 9.00 |
| CHEMBL3903110 | — | — | 3 | 9.00 |
| CHEMBL237289 | — | — | 3 | 9.00 |
| CHEMBL3893759 | — | — | 3 | 9.00 |
| CHEMBL3889902 | — | — | 3 | 8.70 |
| CHEMBL3938646 | — | — | 3 | 8.70 |
| CHEMBL3955534 | — | — | 3 | 8.70 |
| CHEMBL3974699 | — | — | 3 | 8.52 |
| CHEMBL3939916 | — | — | 3 | 8.52 |
| CHEMBL3903674 | — | — | 3 | 8.52 |
| CHEMBL3981831 | — | — | 3 | 8.52 |
| CHEMBL3898310 | — | — | 3 | 8.52 |
| CHEMBL3958450 | — | — | 3 | 8.52 |
| CHEMBL3987141 | — | — | 3 | 8.52 |
| CHEMBL3966199 | — | — | 3 | 8.52 |
| CHEMBL237499 | — | — | 3 | 8.52 |
| CHEMBL3934913 | — | — | 3 | 8.40 |
| CHEMBL3950914 | — | — | 3 | 8.40 |
| CHEMBL3979864 | — | — | 3 | 8.40 |
| CHEMBL3953094 | — | — | 3 | 8.40 |
| CHEMBL3926493 | — | — | 3 | 8.40 |
| CHEMBL3897624 | — | — | 3 | 8.30 |
| CHEMBL3965610 | — | — | 3 | 8.30 |
| CHEMBL3911930 | — | — | 3 | 8.30 |
| CHEMBL6033013 | — | — | 3 | 8.22 |
| CHEMBL3986470 | — | — | 3 | 8.22 |
| CHEMBL3957746 | — | — | 3 | 8.22 |
| CHEMBL3917354 | — | — | 3 | 8.22 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL237289 | — | IC50 | = | 1.0 | nM | 9.00 |
| CHEMBL237500 | LINAGLIPTIN | IC50 | = | 1.0 | nM | 9.00 |
| CHEMBL3903110 | — | IC50 | = | 1.0 | nM | 9.00 |
| CHEMBL3893759 | — | IC50 | = | 1.0 | nM | 9.00 |
| CHEMBL3965981 | — | IC50 | = | 1.0 | nM | 9.00 |
| CHEMBL3903787 | — | IC50 | = | 1.0 | nM | 9.00 |
| CHEMBL3889902 | — | IC50 | = | 2.0 | nM | 8.70 |
| CHEMBL3938646 | — | IC50 | = | 2.0 | nM | 8.70 |
| CHEMBL3955534 | — | IC50 | = | 2.0 | nM | 8.70 |
| CHEMBL3974699 | — | IC50 | = | 3.0 | nM | 8.52 |
| CHEMBL237499 | — | IC50 | = | 3.0 | nM | 8.52 |
| CHEMBL3903674 | — | IC50 | = | 3.0 | nM | 8.52 |
| CHEMBL3966199 | — | IC50 | = | 3.0 | nM | 8.52 |
| CHEMBL3898310 | — | IC50 | = | 3.0 | nM | 8.52 |
| CHEMBL3981831 | — | IC50 | = | 3.0 | nM | 8.52 |
| CHEMBL3939916 | — | IC50 | = | 3.0 | nM | 8.52 |
| CHEMBL3987141 | — | IC50 | = | 3.0 | nM | 8.52 |
| CHEMBL3958450 | — | IC50 | = | 3.0 | nM | 8.52 |
| CHEMBL3926493 | — | IC50 | = | 4.0 | nM | 8.40 |
| CHEMBL3979864 | — | IC50 | = | 4.0 | nM | 8.40 |
| CHEMBL3934913 | — | IC50 | = | 4.0 | nM | 8.40 |
| CHEMBL3950914 | — | IC50 | = | 4.0 | nM | 8.40 |
| CHEMBL3953094 | — | IC50 | = | 4.0 | nM | 8.40 |
| CHEMBL3897624 | — | IC50 | = | 5.0 | nM | 8.30 |
| CHEMBL3911930 | — | IC50 | = | 5.0 | nM | 8.30 |
| CHEMBL3965610 | — | IC50 | = | 5.0 | nM | 8.30 |
| CHEMBL6033013 | — | IC50 | = | 6.0 | nM | 8.22 |
| CHEMBL3917354 | — | IC50 | = | 6.0 | nM | 8.22 |
| CHEMBL3957746 | — | IC50 | = | 6.0 | nM | 8.22 |
| CHEMBL3986470 | — | IC50 | = | 6.0 | nM | 8.22 |
| CHEMBL3986074 | — | IC50 | = | 8.0 | nM | 8.10 |
| CHEMBL3958670 | — | IC50 | = | 8.0 | nM | 8.10 |
| CHEMBL3942798 | — | IC50 | = | 9.0 | nM | 8.05 |
| CHEMBL3985360 | — | IC50 | = | 9.0 | nM | 8.05 |
| CHEMBL3938789 | — | IC50 | = | 11.0 | nM | 7.96 |
| CHEMBL3904065 | — | IC50 | = | 12.0 | nM | 7.92 |
| CHEMBL3957200 | — | IC50 | = | 12.0 | nM | 7.92 |
| CHEMBL3912809 | — | IC50 | = | 13.0 | nM | 7.89 |
| CHEMBL3931178 | — | IC50 | = | 13.0 | nM | 7.89 |
| CHEMBL3962719 | — | IC50 | = | 14.0 | nM | 7.85 |
| CHEMBL3913618 | — | IC50 | = | 16.0 | nM | 7.80 |
| CHEMBL3974068 | — | IC50 | = | 22.0 | nM | 7.66 |
| CHEMBL3913689 | — | IC50 | = | 32.0 | nM | 7.50 |
| CHEMBL3912125 | — | IC50 | = | 250.0 | nM | 6.60 |
| CHEMBL3945052 | — | IC50 | = | 264.0 | nM | 6.58 |
| CHEMBL3922613 | — | IC50 | = | 2160.0 | nM | 5.67 |
| CHEMBL3903674 | — | k_off | = | - | s-1 | - |
| CHEMBL237500 | LINAGLIPTIN | k_off | = | - | s-1 | - |
| CHEMBL237500 | LINAGLIPTIN | kon | = | - | — | - |
| CHEMBL3950914 | — | kon | = | - | — | - |