Assay Detail
Binding
CHEMBL3421140
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Inhibition of recombinant His6-tagged Pseudomonas aeruginosa PqsD expressed in Escherichia coli BL21 (deltaDE3) using anthraniloyl-CoA/beta-ketodecanoic acid as substrate assessed as HHQ formation preincubated for 10 mins followed by substrate addition by HPLC/MS-MS analysis
26
Total Activities
26
Compounds Tested
2
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Pseudomonas aeruginosa |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Target
2-heptyl-4(1H)-quinolone synthase PqsD (CHEMBL3559673) ↗| Type | SINGLE PROTEIN |
| Organism | Pseudomonas aeruginosa |
Publication
Exploring the chemical space of ureidothiophene-2-carboxylic acids as inhibitors of the quorum sensing enzyme PqsD from Pseudomonas aeruginosa.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 25 | 5.15 | 6.85 |
| Inhibition | 1 | - | - |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL3414805 | — | — | 1 | 6.85 |
| CHEMBL3414806 | — | — | 1 | 6.44 |
| CHEMBL3086445 | — | — | 1 | 6.30 |
| CHEMBL2413670 | — | — | 1 | 6.00 |
| CHEMBL369485 | — | — | 1 | 5.70 |
| CHEMBL3414804 | — | — | 1 | 5.57 |
| CHEMBL3414797 | — | — | 1 | 5.42 |
| CHEMBL3414794 | — | — | 1 | 5.30 |
| CHEMBL3414802 | — | — | 1 | 5.21 |
| CHEMBL3414785 | — | — | 1 | 5.16 |
| CHEMBL3086442 | — | — | 1 | 5.16 |
| CHEMBL3414799 | — | — | 1 | 5.12 |
| CHEMBL3414801 | — | — | 1 | 4.94 |
| CHEMBL3414793 | — | — | 1 | 4.88 |
| CHEMBL3414788 | — | — | 1 | 4.86 |
| CHEMBL3414792 | — | — | 1 | 4.72 |
| CHEMBL3414803 | — | — | 1 | 4.71 |
| CHEMBL3414796 | — | — | 1 | 4.67 |
| CHEMBL3414800 | — | — | 1 | 4.62 |
| CHEMBL3414786 | — | — | 1 | 4.54 |
| CHEMBL3414795 | — | — | 1 | 4.52 |
| CHEMBL3414808 | — | — | 1 | 4.50 |
| CHEMBL3414791 | — | — | 1 | 4.50 |
| CHEMBL3414787 | — | — | 1 | 4.50 |
| CHEMBL3414790 | — | — | 1 | 4.47 |
| CHEMBL3414809 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL3414805 | — | IC50 | = | 140.0 | nM | 6.85 |
| CHEMBL3414806 | — | IC50 | = | 360.0 | nM | 6.44 |
| CHEMBL3086445 | — | IC50 | = | 500.0 | nM | 6.30 |
| CHEMBL2413670 | — | IC50 | = | 1000.0 | nM | 6.00 |
| CHEMBL369485 | — | IC50 | = | 2000.0 | nM | 5.70 |
| CHEMBL3414804 | — | IC50 | = | 2700.0 | nM | 5.57 |
| CHEMBL3414797 | — | IC50 | = | 3800.0 | nM | 5.42 |
| CHEMBL3414794 | — | IC50 | = | 5000.0 | nM | 5.30 |
| CHEMBL3414802 | — | IC50 | = | 6200.0 | nM | 5.21 |
| CHEMBL3414785 | — | IC50 | = | 7000.0 | nM | 5.16 |
| CHEMBL3086442 | — | IC50 | = | 7000.0 | nM | 5.16 |
| CHEMBL3414799 | — | IC50 | = | 7500.0 | nM | 5.12 |
| CHEMBL3414801 | — | IC50 | = | 11500.0 | nM | 4.94 |
| CHEMBL3414793 | — | IC50 | = | 13200.0 | nM | 4.88 |
| CHEMBL3414788 | — | IC50 | = | 13800.0 | nM | 4.86 |
| CHEMBL3414792 | — | IC50 | = | 19000.0 | nM | 4.72 |
| CHEMBL3414803 | — | IC50 | = | 19400.0 | nM | 4.71 |
| CHEMBL3414796 | — | IC50 | = | 21600.0 | nM | 4.67 |
| CHEMBL3414800 | — | IC50 | = | 23700.0 | nM | 4.62 |
| CHEMBL3414786 | — | IC50 | = | 29000.0 | nM | 4.54 |
| CHEMBL3414795 | — | IC50 | = | 30300.0 | nM | 4.52 |
| CHEMBL3414808 | — | IC50 | = | 32000.0 | nM | 4.50 |
| CHEMBL3414791 | — | IC50 | = | 31900.0 | nM | 4.50 |
| CHEMBL3414787 | — | IC50 | = | 31300.0 | nM | 4.50 |
| CHEMBL3414790 | — | IC50 | = | 33700.0 | nM | 4.47 |
| CHEMBL3414809 | — | Inhibition | - | % | - |