Assay Detail
Binding
CHEMBL3889250
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Inhibition Assay: To determine the thrombin inhibition of the substances listed above, a biochemical test system is constructed in which the conversion of a thrombin substrate is used for determining the enzymatic activity of human thrombin. Here, thrombin cleaves aminomethylcoumarin, which is measured fluorescently, from the peptic substrate. The determinations are carried out in microtitre plates.Substances to be tested are dissolved in various concentrations in dimethyl sulphoxide and incubated for 15 min with human thrombin (0.06 nmol/l dissolved in 50 mmol/l of Tris buffer [C,C,C-tris(hydroxymethyl)aminomethane], 100 mmol/l of sodium chloride, 0.1% BSA [bovine serum albumin], pH 7.4) at 22° C. The substrate (5 umol/l Boc-Asp(OBzl)-Pro-Arg-AMC from Bachem) is then added. After 30 min of incubation, the sample is excited at a wavelength of 360 nm and the emission is measured at 460 nm. The measured emissions of the test batches with test substance are compared to the control batches without test substance (only dimethyl sulphoxide instead of test substance in dimethyl sulphoxide) and the IC50 values are calculated from the concentration/activity relationships.
34
Total Activities
31
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Homo sapiens |
| Confidence | 8 — Homologous single protein target |
| Curated By | Autocuration |
Publication
Substituted benzoxazoles
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 34 | 8.86 | 11.00 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL4108739 | — | — | 1 | 11.00 |
| CHEMBL4111930 | — | — | 1 | 10.00 |
| CHEMBL4108161 | — | — | 1 | 9.80 |
| CHEMBL4109095 | — | — | 1 | 9.72 |
| CHEMBL4107222 | — | — | 1 | 9.70 |
| CHEMBL3889734 | — | — | 1 | 9.52 |
| CHEMBL3948815 | — | — | 1 | 9.43 |
| CHEMBL4114319 | — | — | 1 | 9.42 |
| CHEMBL3944800 | — | — | 1 | 9.33 |
| CHEMBL4113643 | — | — | 3 | 9.27 |
| CHEMBL3944683 | — | — | 1 | 9.15 |
| CHEMBL3916804 | — | — | 1 | 9.14 |
| CHEMBL4113979 | — | — | 1 | 9.01 |
| CHEMBL4115099 | — | — | 1 | 8.96 |
| CHEMBL3941250 | — | — | 1 | 8.92 |
| CHEMBL4113607 | — | — | 1 | 8.85 |
| CHEMBL4114862 | — | — | 1 | 8.85 |
| CHEMBL3952386 | — | — | 1 | 8.80 |
| CHEMBL3944942 | — | — | 2 | 8.77 |
| CHEMBL3948587 | — | — | 1 | 8.77 |
| CHEMBL4107318 | — | — | 1 | 8.70 |
| CHEMBL4112123 | — | — | 1 | 8.64 |
| CHEMBL3951743 | — | — | 1 | 8.62 |
| CHEMBL3906435 | — | — | 1 | 8.49 |
| CHEMBL4114466 | — | — | 1 | 8.37 |
| CHEMBL3979944 | — | — | 1 | 8.36 |
| CHEMBL4113823 | — | — | 1 | 8.28 |
| CHEMBL4106805 | — | — | 1 | 7.96 |
| CHEMBL3937496 | — | — | 1 | 7.70 |
| CHEMBL4108282 | — | — | 1 | 7.51 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL4108739 | — | IC50 | = | 0.01 | nM | 11.00 |
| CHEMBL4111930 | — | IC50 | = | 0.1 | nM | 10.00 |
| CHEMBL4108161 | — | IC50 | = | 0.16 | nM | 9.80 |
| CHEMBL4109095 | — | IC50 | = | 0.19 | nM | 9.72 |
| CHEMBL4107222 | — | IC50 | = | 0.2 | nM | 9.70 |
| CHEMBL3889734 | — | IC50 | = | 0.3 | nM | 9.52 |
| CHEMBL3948815 | — | IC50 | = | 0.37 | nM | 9.43 |
| CHEMBL4114319 | — | IC50 | = | 0.38 | nM | 9.42 |
| CHEMBL3944800 | — | IC50 | = | 0.47 | nM | 9.33 |
| CHEMBL4113643 | — | IC50 | = | 0.54 | nM | 9.27 |
| CHEMBL3944683 | — | IC50 | = | 0.7 | nM | 9.15 |
| CHEMBL3916804 | — | IC50 | = | 0.72 | nM | 9.14 |
| CHEMBL4113979 | — | IC50 | = | 0.98 | nM | 9.01 |
| CHEMBL4113643 | — | IC50 | = | 1.1 | nM | 8.96 |
| CHEMBL4115099 | — | IC50 | = | 1.1 | nM | 8.96 |
| CHEMBL3941250 | — | IC50 | = | 1.2 | nM | 8.92 |
| CHEMBL4113607 | — | IC50 | = | 1.4 | nM | 8.85 |
| CHEMBL4114862 | — | IC50 | = | 1.4 | nM | 8.85 |
| CHEMBL3952386 | — | IC50 | = | 1.6 | nM | 8.80 |
| CHEMBL3948587 | — | IC50 | = | 1.7 | nM | 8.77 |
| CHEMBL3944942 | — | IC50 | = | 1.7 | nM | 8.77 |
| CHEMBL4107318 | — | IC50 | = | 2.0 | nM | 8.70 |
| CHEMBL4112123 | — | IC50 | = | 2.3 | nM | 8.64 |
| CHEMBL3951743 | — | IC50 | = | 2.4 | nM | 8.62 |
| CHEMBL3906435 | — | IC50 | = | 3.2 | nM | 8.49 |
| CHEMBL4114466 | — | IC50 | = | 4.3 | nM | 8.37 |
| CHEMBL3979944 | — | IC50 | = | 4.4 | nM | 8.36 |
| CHEMBL4113823 | — | IC50 | = | 5.3 | nM | 8.28 |
| CHEMBL4113643 | — | IC50 | = | 5.3 | nM | 8.28 |
| CHEMBL3944942 | — | IC50 | = | 9.7 | nM | 8.01 |
| CHEMBL4106805 | — | IC50 | = | 11.0 | nM | 7.96 |
| CHEMBL3937496 | — | IC50 | = | 20.0 | nM | 7.70 |
| CHEMBL4108282 | — | IC50 | = | 31.0 | nM | 7.51 |
| CHEMBL4114879 | — | IC50 | = | 130.0 | nM | 6.89 |