Assay Detail
Binding
CHEMBL941163
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Inhibition of Staphylococcus aureus dehydrosqualene synthase expressed in Escherichia coli BL21 (DE3) cells by continuous spectrophotometric assay
42
Total Activities
38
Compounds Tested
2
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Staphylococcus aureus |
| Cell Type | BL21-DE3 |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Target
4,4'-diapophytoene synthase (CHEMBL5440) ↗| Type | SINGLE PROTEIN |
| Organism | Staphylococcus aureus |
Publication
Phosphonosulfonates are potent, selective inhibitors of dehydrosqualene synthase and staphyloxanthin biosynthesis in Staphylococcus aureus.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 38 | 5.13 | 6.70 |
| Ki | 4 | 8.73 | 9.30 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL460896 | — | — | 2 | 9.30 |
| CHEMBL460895 | — | — | 2 | 9.00 |
| CHEMBL160340 | — | — | 2 | 8.30 |
| CHEMBL461778 | — | — | 2 | 8.30 |
| CHEMBL460718 | — | — | 1 | 5.85 |
| CHEMBL499922 | — | — | 1 | 5.77 |
| CHEMBL490890 | — | — | 1 | 5.68 |
| CHEMBL490300 | — | — | 1 | 5.68 |
| CHEMBL489113 | — | — | 1 | 5.66 |
| CHEMBL473343 | — | — | 1 | 5.66 |
| CHEMBL473741 | — | — | 1 | 5.60 |
| CHEMBL522608 | — | — | 1 | 5.34 |
| CHEMBL513622 | — | — | 1 | 5.27 |
| CHEMBL516044 | — | — | 1 | 5.24 |
| CHEMBL490690 | — | — | 1 | 5.20 |
| CHEMBL515716 | — | — | 1 | 5.16 |
| CHEMBL460912 | — | — | 1 | 5.14 |
| CHEMBL351151 | — | — | 1 | 5.10 |
| CHEMBL516975 | — | — | 1 | 5.04 |
| CHEMBL473344 | — | — | 1 | 5.01 |
| CHEMBL473742 | — | — | 1 | 4.98 |
| CHEMBL514788 | — | — | 1 | 4.87 |
| CHEMBL473739 | — | — | 1 | 4.69 |
| CHEMBL513790 | — | — | 1 | 4.66 |
| CHEMBL160284 | — | — | 1 | 4.61 |
| CHEMBL491875 | — | — | 1 | 4.58 |
| CHEMBL473937 | — | — | 1 | 4.55 |
| CHEMBL160318 | — | — | 1 | 4.43 |
| CHEMBL473738 | — | — | 1 | 4.36 |
| CHEMBL462651 | — | — | 1 | 4.32 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL460896 | — | Ki | = | 0.5 | nM | 9.30 |
| CHEMBL460895 | — | Ki | = | 1.0 | nM | 9.00 |
| CHEMBL461778 | — | Ki | = | 5.0 | nM | 8.30 |
| CHEMBL160340 | — | Ki | = | 5.0 | nM | 8.30 |
| CHEMBL460896 | — | IC50 | = | 200.0 | nM | 6.70 |
| CHEMBL460895 | — | IC50 | = | 500.0 | nM | 6.30 |
| CHEMBL460718 | — | IC50 | = | 1400.0 | nM | 5.85 |
| CHEMBL499922 | — | IC50 | = | 1700.0 | nM | 5.77 |
| CHEMBL490890 | — | IC50 | = | 2100.0 | nM | 5.68 |
| CHEMBL490300 | — | IC50 | = | 2100.0 | nM | 5.68 |
| CHEMBL473343 | — | IC50 | = | 2200.0 | nM | 5.66 |
| CHEMBL489113 | — | IC50 | = | 2200.0 | nM | 5.66 |
| CHEMBL160340 | — | IC50 | = | 2200.0 | nM | 5.66 |
| CHEMBL461778 | — | IC50 | = | 2300.0 | nM | 5.64 |
| CHEMBL473741 | — | IC50 | = | 2500.0 | nM | 5.60 |
| CHEMBL522608 | — | IC50 | = | 4600.0 | nM | 5.34 |
| CHEMBL513622 | — | IC50 | = | 5400.0 | nM | 5.27 |
| CHEMBL516044 | — | IC50 | = | 5800.0 | nM | 5.24 |
| CHEMBL490690 | — | IC50 | = | 6300.0 | nM | 5.20 |
| CHEMBL515716 | — | IC50 | = | 6900.0 | nM | 5.16 |
| CHEMBL460912 | — | IC50 | = | 7200.0 | nM | 5.14 |
| CHEMBL351151 | — | IC50 | = | 7900.0 | nM | 5.10 |
| CHEMBL516975 | — | IC50 | = | 9100.0 | nM | 5.04 |
| CHEMBL473344 | — | IC50 | = | 9800.0 | nM | 5.01 |
| CHEMBL473742 | — | IC50 | = | 10500.0 | nM | 4.98 |
| CHEMBL514788 | — | IC50 | = | 13500.0 | nM | 4.87 |
| CHEMBL473739 | — | IC50 | = | 20400.0 | nM | 4.69 |
| CHEMBL513790 | — | IC50 | = | 21900.0 | nM | 4.66 |
| CHEMBL160284 | — | IC50 | = | 24500.0 | nM | 4.61 |
| CHEMBL491875 | — | IC50 | = | 26300.0 | nM | 4.58 |
| CHEMBL473937 | — | IC50 | = | 28200.0 | nM | 4.55 |
| CHEMBL160318 | — | IC50 | = | 37200.0 | nM | 4.43 |
| CHEMBL473738 | — | IC50 | = | 43700.0 | nM | 4.36 |
| CHEMBL462651 | — | IC50 | = | 47900.0 | nM | 4.32 |
| CHEMBL474135 | — | IC50 | = | 53700.0 | nM | 4.27 |
| CHEMBL158844 | — | IC50 | = | 72400.0 | nM | 4.14 |
| CHEMBL490494 | — | IC50 | = | 81300.0 | nM | 4.09 |
| CHEMBL461788 | — | IC50 | = | 123000.0 | nM | - |
| CHEMBL461965 | — | IC50 | = | 1700000.0 | nM | - |
| CHEMBL473737 | — | IC50 | = | 500000.0 | nM | - |
| CHEMBL473934 | — | IC50 | = | 170000.0 | nM | - |
| CHEMBL491874 | — | IC50 | = | 169800.0 | nM | - |