Assay Detail
Binding
CHEMBL3389868
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Inhibition of Staphylococcus aureus sortase A using dabcyl-QALPETGEE-edans as substrate incubated for 1 hr prior to substrate addition measured at 1 min interval for 1 hr by FRET analysis
22
Total Activities
22
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Staphylococcus aureus |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Publication
Discovery and structure-activity relationship studies of irreversible benzisothiazolinone-based inhibitors against Staphylococcus aureus sortase A transpeptidase.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 22 | 5.27 | 5.47 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL3343843 | — | — | 1 | 5.47 |
| CHEMBL3343832 | — | — | 1 | 5.42 |
| CHEMBL3343842 | — | — | 1 | 5.42 |
| CHEMBL3343831 | — | — | 1 | 5.41 |
| CHEMBL3343837 | — | — | 1 | 5.40 |
| CHEMBL3343839 | — | — | 1 | 5.40 |
| CHEMBL3343838 | — | — | 1 | 5.39 |
| CHEMBL3341779 | — | — | 1 | 5.38 |
| CHEMBL3343833 | — | — | 1 | 5.33 |
| CHEMBL3343830 | — | — | 1 | 5.30 |
| CHEMBL3343841 | — | — | 1 | 5.30 |
| CHEMBL3343836 | — | — | 1 | 5.29 |
| CHEMBL1471698 | — | — | 1 | 5.21 |
| CHEMBL3343840 | — | — | 1 | 5.20 |
| CHEMBL3343835 | — | — | 1 | 5.19 |
| CHEMBL3343834 | — | — | 1 | 5.15 |
| CHEMBL3343844 | — | — | 1 | 4.89 |
| CHEMBL264166 | — | — | 1 | 4.77 |
| CHEMBL165058 | (ETHENYLSULFONYL)BENZENE | — | 1 | - |
| CHEMBL1569 | AMANTADINE HYDROCHLORIDE | 4.0 | 1 | - |
| CHEMBL3343845 | — | — | 1 | - |
| CHEMBL3343846 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL3343843 | — | IC50 | = | 3390.0 | nM | 5.47 |
| CHEMBL3343832 | — | IC50 | = | 3810.0 | nM | 5.42 |
| CHEMBL3343842 | — | IC50 | = | 3800.0 | nM | 5.42 |
| CHEMBL3343831 | — | IC50 | = | 3870.0 | nM | 5.41 |
| CHEMBL3343837 | — | IC50 | = | 4010.0 | nM | 5.40 |
| CHEMBL3343839 | — | IC50 | = | 3960.0 | nM | 5.40 |
| CHEMBL3343838 | — | IC50 | = | 4070.0 | nM | 5.39 |
| CHEMBL3341779 | — | IC50 | = | 4220.0 | nM | 5.38 |
| CHEMBL3343833 | — | IC50 | = | 4620.0 | nM | 5.33 |
| CHEMBL3343830 | — | IC50 | = | 4990.0 | nM | 5.30 |
| CHEMBL3343841 | — | IC50 | = | 5060.0 | nM | 5.30 |
| CHEMBL3343836 | — | IC50 | = | 5080.0 | nM | 5.29 |
| CHEMBL1471698 | — | IC50 | = | 6110.0 | nM | 5.21 |
| CHEMBL3343840 | — | IC50 | = | 6260.0 | nM | 5.20 |
| CHEMBL3343835 | — | IC50 | = | 6440.0 | nM | 5.19 |
| CHEMBL3343834 | — | IC50 | = | 7060.0 | nM | 5.15 |
| CHEMBL3343844 | — | IC50 | = | 12780.0 | nM | 4.89 |
| CHEMBL264166 | — | IC50 | = | 16910.0 | nM | 4.77 |
| CHEMBL165058 | (ETHENYLSULFONYL)BENZENE | IC50 | = | 736000.0 | nM | - |
| CHEMBL1569 | AMANTADINE HYDROCHLORIDE | IC50 | - | — | - | |
| CHEMBL3343845 | — | IC50 | - | — | - | |
| CHEMBL3343846 | — | IC50 | - | — | - |