Assay Detail
Binding
CHEMBL3829384
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Inhibition of diapophytoene desaturase in Staphylococcus aureus Newman assessed as reduction in staphyloxanthin pigment formation after 48 hrs by spectrophotometry
36
Total Activities
36
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Staphylococcus aureus subsp. aureus str. Newman |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Target
4,4'-diapophytoene desaturase (4,4'-diaponeurosporene-forming) (CHEMBL3813586) ↗| Type | SINGLE PROTEIN |
| Organism | Staphylococcus aureus (strain Newman) |
Publication
Discovery of Benzocycloalkane Derivatives Efficiently Blocking Bacterial Virulence for the Treatment of Methicillin-Resistant S. aureus (MRSA) Infections by Targeting Diapophytoene Desaturase (CrtN).
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 36 | 7.53 | 8.89 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL3827744 | — | — | 1 | 8.89 |
| CHEMBL3828585 | — | — | 1 | 8.72 |
| CHEMBL3827961 | — | — | 1 | 8.39 |
| CHEMBL3828525 | — | — | 1 | 8.11 |
| CHEMBL3827888 | — | — | 1 | 8.06 |
| CHEMBL3828547 | — | — | 1 | 8.00 |
| CHEMBL3827974 | — | — | 1 | 7.91 |
| CHEMBL3827751 | — | — | 1 | 7.91 |
| CHEMBL3827562 | — | — | 1 | 7.91 |
| CHEMBL3827731 | — | — | 1 | 7.89 |
| CHEMBL3827676 | — | — | 1 | 7.51 |
| CHEMBL3827505 | — | — | 1 | 7.41 |
| CHEMBL3828634 | — | — | 1 | 7.03 |
| CHEMBL3828086 | — | — | 1 | 6.70 |
| CHEMBL3828576 | — | — | 1 | 6.61 |
| CHEMBL3828700 | — | — | 1 | 6.22 |
| CHEMBL3827225 | — | — | 1 | 6.11 |
| CHEMBL3828023 | — | — | 1 | 6.09 |
| CHEMBL3828217 | — | — | 1 | - |
| CHEMBL3827942 | — | — | 1 | - |
| CHEMBL3828366 | — | — | 1 | - |
| CHEMBL3828703 | — | — | 1 | - |
| CHEMBL3827110 | — | — | 1 | - |
| CHEMBL3827802 | — | — | 1 | - |
| CHEMBL3827754 | — | — | 1 | - |
| CHEMBL3827355 | — | — | 1 | - |
| CHEMBL3828623 | — | — | 1 | - |
| CHEMBL3827033 | — | — | 1 | - |
| CHEMBL3828327 | — | — | 1 | - |
| CHEMBL3827264 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL3827744 | — | IC50 | = | 1.3 | nM | 8.89 |
| CHEMBL3828585 | — | IC50 | = | 1.9 | nM | 8.72 |
| CHEMBL3827961 | — | IC50 | = | 4.1 | nM | 8.39 |
| CHEMBL3828525 | — | IC50 | = | 7.8 | nM | 8.11 |
| CHEMBL3827888 | — | IC50 | = | 8.8 | nM | 8.06 |
| CHEMBL3828547 | — | IC50 | = | 10.0 | nM | 8.00 |
| CHEMBL3827974 | — | IC50 | = | 12.2 | nM | 7.91 |
| CHEMBL3827751 | — | IC50 | = | 12.4 | nM | 7.91 |
| CHEMBL3827562 | — | IC50 | = | 12.2 | nM | 7.91 |
| CHEMBL3827731 | — | IC50 | = | 12.8 | nM | 7.89 |
| CHEMBL3827676 | — | IC50 | = | 31.0 | nM | 7.51 |
| CHEMBL3827505 | — | IC50 | = | 39.4 | nM | 7.41 |
| CHEMBL3828634 | — | IC50 | = | 94.5 | nM | 7.03 |
| CHEMBL3828086 | — | IC50 | = | 201.9 | nM | 6.70 |
| CHEMBL3828576 | — | IC50 | = | 245.6 | nM | 6.61 |
| CHEMBL3828700 | — | IC50 | = | 603.1 | nM | 6.22 |
| CHEMBL3827225 | — | IC50 | = | 770.1 | nM | 6.11 |
| CHEMBL3828023 | — | IC50 | = | 808.3 | nM | 6.09 |
| CHEMBL3828692 | — | IC50 | > | 2500.0 | nM | - |
| CHEMBL3827124 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL3827289 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL3827435 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL3827460 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL3828287 | — | IC50 | > | 2500.0 | nM | - |
| CHEMBL3827264 | — | IC50 | > | 1250.0 | nM | - |
| CHEMBL3828327 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL3827033 | — | IC50 | > | 50000.0 | nM | - |
| CHEMBL3828623 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL3827355 | — | IC50 | > | 20000.0 | nM | - |
| CHEMBL3827754 | — | IC50 | > | 20000.0 | nM | - |
| CHEMBL3827802 | — | IC50 | > | 20000.0 | nM | - |
| CHEMBL3827110 | — | IC50 | > | 1000.0 | nM | - |
| CHEMBL3828703 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL3828366 | — | IC50 | > | 5000.0 | nM | - |
| CHEMBL3827942 | — | IC50 | > | 1000.0 | nM | - |
| CHEMBL3828217 | — | IC50 | > | 1250.0 | nM | - |