Assay Detail
Binding
CHEMBL4125284
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Binding affinity to Aspergillus fumigatus CYP51 by spectral titration method
8
Total Activities
8
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Aspergillus fumigatus |
| Confidence | 8 — Homologous single protein target |
| Curated By | Autocuration |
Publication
Sterol 14α-Demethylase Structure-Based Design of VNI (( R)- N-(1-(2,4-Dichlorophenyl)-2-(1 H-imidazol-1-yl)ethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide)) Derivatives To Target Fungal Infections: Synthesis, Biological Evaluation, and Crystallographic Analysis.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Kd | 8 | 7.14 | 7.70 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL4128885 | — | — | 1 | 7.70 |
| CHEMBL4127493 | — | — | 1 | 7.26 |
| CHEMBL638 | VORICONAZOLE | 4.0 | 1 | 7.25 |
| CHEMBL4129161 | — | — | 1 | 7.24 |
| CHEMBL4128615 | — | — | 1 | 7.21 |
| CHEMBL4126063 | — | — | 1 | 6.88 |
| CHEMBL1397 | POSACONAZOLE | 4.0 | 1 | 6.88 |
| CHEMBL1236677 | — | — | 1 | 6.69 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL4128885 | — | Kd | = | 20.0 | nM | 7.70 |
| CHEMBL4127493 | — | Kd | = | 55.0 | nM | 7.26 |
| CHEMBL638 | VORICONAZOLE | Kd | = | 56.0 | nM | 7.25 |
| CHEMBL4129161 | — | Kd | = | 57.0 | nM | 7.24 |
| CHEMBL4128615 | — | Kd | = | 61.0 | nM | 7.21 |
| CHEMBL4126063 | — | Kd | = | 132.0 | nM | 6.88 |
| CHEMBL1397 | POSACONAZOLE | Kd | = | 131.0 | nM | 6.88 |
| CHEMBL1236677 | — | Kd | = | 203.0 | nM | 6.69 |