Assay Detail
Binding
CHEMBL5733561
Review assay metadata, readout intent, target linkage, and publication context from the same page.
In Vitro Assay: MMP-13:The basis for the assay is the cleavage of the substrate 390 MMP FRET Substrate I (Anaspec Cat # AS-27076) by human MMP13 (Chemicon, Cat #CC068).For the dose response (10 point), 4 μL of a dilution series of compound (20 μM highest concentration, 1/5 dilution in water), is transferred to 384 well Fluotrac 200 plate (Greiner, cat #781076) and incubated at room temperature for 30 min with a 26 μL buffer solution (50 mM Tris pH7.5, 150 mM NaCl, 10 mM CaCl2, 0.05% CHAPS, 5 μM ZnCl2) containing MMP13 (0.01 ng/IL) (it will be appreciated by the skilled person that the potency read out is independent of the enzyme concentration). Human MMP13 is preactivated by incubated the enzyme in the same buffer complemented with 1 mM freshly prepared p-Aminophenylmercuric acetate (AMPA) for 1 hour at 37° C.The reaction is initiated by adding to the assay plate 390 MMP FRET Substrate I (10 μL, 2.5 μM) in the same buffer.Finally, the fluorescence is read on the Envision (Perkin Elmer) after an incubation of 45 min at room temperature (Excitation 485 nm, Emission 530).
621
Total Activities
189
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
5-[(piperazin-1-yl)-3-oxo-propyl]-imidazolidine-2,4-dione derivatives as ADAMTS inhibitors for the treatment of osteoarthritis
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 207 | 5.89 | 8.25 |
| kon | 207 | - | - |
| k_off | 207 | - | - |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL5859458 | — | — | 3 | 8.25 |
| CHEMBL5831615 | — | — | 3 | 7.67 |
| CHEMBL6036614 | — | — | 3 | 7.15 |
| CHEMBL6030162 | — | — | 6 | 6.82 |
| CHEMBL5816915 | — | — | 3 | 6.42 |
| CHEMBL5806226 | — | — | 6 | 6.36 |
| CHEMBL6004844 | — | — | 3 | 6.18 |
| CHEMBL5962512 | — | — | 6 | 6.12 |
| CHEMBL6060037 | — | — | 3 | 6.10 |
| CHEMBL5769726 | — | — | 6 | 6.06 |
| CHEMBL5782650 | — | — | 3 | 6.04 |
| CHEMBL5851590 | — | — | 6 | 6.02 |
| CHEMBL4874034 | — | — | 3 | 5.98 |
| CHEMBL4862188 | — | — | 3 | 5.97 |
| CHEMBL5990654 | — | — | 3 | 5.92 |
| CHEMBL5760423 | — | — | 6 | 5.91 |
| CHEMBL5904713 | — | — | 3 | 5.89 |
| CHEMBL5945575 | — | — | 3 | 5.89 |
| CHEMBL5804564 | — | — | 3 | 5.78 |
| CHEMBL5913296 | — | — | 3 | 5.77 |
| CHEMBL5818101 | — | — | 3 | 5.73 |
| CHEMBL6012959 | — | — | 3 | 5.73 |
| CHEMBL4877662 | — | — | 3 | 5.73 |
| CHEMBL5909928 | — | — | 3 | 5.71 |
| CHEMBL5949991 | — | — | 3 | 5.70 |
| CHEMBL5851474 | — | — | 3 | 5.69 |
| CHEMBL5742640 | — | — | 6 | 5.69 |
| CHEMBL5836388 | — | — | 3 | 5.68 |
| CHEMBL5878646 | — | — | 3 | 5.67 |
| CHEMBL5891470 | — | — | 3 | 5.66 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL5859458 | — | IC50 | = | 5.6 | nM | 8.25 |
| CHEMBL5831615 | — | IC50 | = | 21.2 | nM | 7.67 |
| CHEMBL6036614 | — | IC50 | = | 70.6 | nM | 7.15 |
| CHEMBL6030162 | — | IC50 | = | 152.0 | nM | 6.82 |
| CHEMBL6030162 | — | IC50 | = | 152.0 | nM | 6.82 |
| CHEMBL5816915 | — | IC50 | = | 377.0 | nM | 6.42 |
| CHEMBL5806226 | — | IC50 | = | 433.0 | nM | 6.36 |
| CHEMBL5806226 | — | IC50 | = | 433.0 | nM | 6.36 |
| CHEMBL6004844 | — | IC50 | = | 663.0 | nM | 6.18 |
| CHEMBL5962512 | — | IC50 | = | 766.0 | nM | 6.12 |
| CHEMBL5962512 | — | IC50 | = | 766.0 | nM | 6.12 |
| CHEMBL6060037 | — | IC50 | = | 794.0 | nM | 6.10 |
| CHEMBL5769726 | — | IC50 | = | 865.0 | nM | 6.06 |
| CHEMBL5769726 | — | IC50 | = | 865.0 | nM | 6.06 |
| CHEMBL5782650 | — | IC50 | = | 919.0 | nM | 6.04 |
| CHEMBL5851590 | — | IC50 | = | 952.0 | nM | 6.02 |
| CHEMBL5851590 | — | IC50 | = | 952.0 | nM | 6.02 |
| CHEMBL4874034 | — | IC50 | = | 1040.0 | nM | 5.98 |
| CHEMBL4862188 | — | IC50 | = | 1060.0 | nM | 5.97 |
| CHEMBL5990654 | — | IC50 | = | 1210.0 | nM | 5.92 |
| CHEMBL5760423 | — | IC50 | = | 1220.0 | nM | 5.91 |
| CHEMBL5760423 | — | IC50 | = | 1220.0 | nM | 5.91 |
| CHEMBL5945575 | — | IC50 | = | 1300.0 | nM | 5.89 |
| CHEMBL5904713 | — | IC50 | = | 1280.0 | nM | 5.89 |
| CHEMBL5804564 | — | IC50 | = | 1680.0 | nM | 5.78 |
| CHEMBL5913296 | — | IC50 | = | 1710.0 | nM | 5.77 |
| CHEMBL6012959 | — | IC50 | = | 1880.0 | nM | 5.73 |
| CHEMBL4877662 | — | IC50 | = | 1850.0 | nM | 5.73 |
| CHEMBL5818101 | — | IC50 | = | 1880.0 | nM | 5.73 |
| CHEMBL5909928 | — | IC50 | = | 1940.0 | nM | 5.71 |
| CHEMBL5949991 | — | IC50 | = | 2000.0 | nM | 5.70 |
| CHEMBL5851474 | — | IC50 | = | 2060.0 | nM | 5.69 |
| CHEMBL5742640 | — | IC50 | = | 2040.0 | nM | 5.69 |
| CHEMBL5742640 | — | IC50 | = | 2042.0 | nM | 5.69 |
| CHEMBL5836388 | — | IC50 | = | 2100.0 | nM | 5.68 |
| CHEMBL5878646 | — | IC50 | = | 2120.0 | nM | 5.67 |
| CHEMBL5891470 | — | IC50 | = | 2200.0 | nM | 5.66 |
| CHEMBL6016907 | — | IC50 | = | 2220.0 | nM | 5.65 |
| CHEMBL6053977 | — | IC50 | = | 2333.0 | nM | 5.63 |
| CHEMBL6053977 | — | IC50 | = | 2330.0 | nM | 5.63 |
| CHEMBL5818147 | — | IC50 | = | 2370.0 | nM | 5.62 |
| CHEMBL5989286 | — | IC50 | = | 2580.0 | nM | 5.59 |
| CHEMBL5924156 | — | IC50 | = | 2660.0 | nM | 5.58 |
| CHEMBL6064027 | — | IC50 | = | 2610.0 | nM | 5.58 |
| CHEMBL6032427 | — | IC50 | = | 2670.0 | nM | 5.57 |
| CHEMBL6040418 | — | IC50 | = | 2740.0 | nM | 5.56 |
| CHEMBL6040418 | — | IC50 | = | 2740.0 | nM | 5.56 |
| CHEMBL6023444 | — | IC50 | = | 2880.0 | nM | 5.54 |
| CHEMBL6023444 | — | IC50 | = | 2880.0 | nM | 5.54 |
| CHEMBL5996710 | — | IC50 | = | 3060.0 | nM | 5.51 |