Assay Detail
Binding
CHEMBL978964
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Binding affinity to Mycobacterium tuberculosis His4-tagged recombinant CYP51 inhibitor binding site expressed in Escherichia coli HMS174(DE3) by UV-visible spectral titration method
8
Total Activities
8
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Mycobacterium tuberculosis |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Target
Sterol 14alpha-demethylase (CHEMBL5090) ↗| Type | SINGLE PROTEIN |
| Organism | Mycobacterium tuberculosis |
Publication
Small-molecule scaffolds for CYP51 inhibitors identified by high-throughput screening and defined by X-ray crystallography.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Kd | 8 | 5.20 | 5.30 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL507264 | — | — | 1 | 5.30 |
| CHEMBL489925 | — | — | 1 | 5.30 |
| CHEMBL490941 | — | — | 1 | 5.30 |
| CHEMBL521787 | — | — | 1 | 5.30 |
| CHEMBL491289 | — | — | 1 | 5.30 |
| CHEMBL455684 | — | — | 1 | 5.30 |
| CHEMBL183282 | — | — | 1 | 5.30 |
| CHEMBL106 | FLUCONAZOLE | 4.0 | 1 | 4.52 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL507264 | — | Kd | = | 5000.0 | nM | 5.30 |
| CHEMBL489925 | — | Kd | = | 5000.0 | nM | 5.30 |
| CHEMBL490941 | — | Kd | = | 5000.0 | nM | 5.30 |
| CHEMBL521787 | — | Kd | = | 5000.0 | nM | 5.30 |
| CHEMBL491289 | — | Kd | = | 5000.0 | nM | 5.30 |
| CHEMBL455684 | — | Kd | = | 5000.0 | nM | 5.30 |
| CHEMBL183282 | — | Kd | = | 5000.0 | nM | 5.30 |
| CHEMBL106 | FLUCONAZOLE | Kd | = | 30000.0 | nM | 4.52 |