Assay Detail
Binding
CHEMBL1061809
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Binding affinity to Penicillium digitatum CYP51 expressed in Escherichia coli by UV-visible spectrophotometry
19
Total Activities
19
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Penicillium digitatum |
| Confidence | 0 — Uncurated / Unknown |
| Curated By | Autocuration |
Publication
Organocatalytic synthesis and sterol 14alpha-demethylase binding interactions of enantioriched 3-(1H-1,2,4-triazol-1-yl)butyl benzoates.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Kd | 19 | 6.02 | 6.61 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL551746 | DINICONAZOLE | — | 1 | 6.61 |
| CHEMBL549384 | — | — | 1 | 6.47 |
| CHEMBL569373 | — | — | 1 | 6.34 |
| CHEMBL549859 | — | — | 1 | 6.33 |
| CHEMBL556651 | — | — | 1 | 6.25 |
| CHEMBL571907 | — | — | 1 | 6.24 |
| CHEMBL551538 | — | — | 1 | 6.17 |
| CHEMBL556719 | — | — | 1 | 6.13 |
| CHEMBL520897 | TRIADIMEFON | — | 1 | 6.03 |
| CHEMBL560942 | — | — | 1 | 6.01 |
| CHEMBL556859 | — | — | 1 | 6.00 |
| CHEMBL562084 | — | — | 1 | 5.95 |
| CHEMBL556510 | — | — | 1 | 5.93 |
| CHEMBL562085 | — | — | 1 | 5.86 |
| CHEMBL556443 | — | — | 1 | 5.85 |
| CHEMBL549452 | — | — | 1 | 5.79 |
| CHEMBL562205 | — | — | 1 | 5.76 |
| CHEMBL563854 | — | — | 1 | 5.63 |
| CHEMBL562284 | — | — | 1 | 4.98 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL551746 | DINICONAZOLE | Kd | = | 247.3 | nM | 6.61 |
| CHEMBL549384 | — | Kd | = | 338.1 | nM | 6.47 |
| CHEMBL569373 | — | Kd | = | 452.4 | nM | 6.34 |
| CHEMBL549859 | — | Kd | = | 472.4 | nM | 6.33 |
| CHEMBL556651 | — | Kd | = | 560.0 | nM | 6.25 |
| CHEMBL571907 | — | Kd | = | 580.1 | nM | 6.24 |
| CHEMBL551538 | — | Kd | = | 682.4 | nM | 6.17 |
| CHEMBL556719 | — | Kd | = | 742.9 | nM | 6.13 |
| CHEMBL520897 | TRIADIMEFON | Kd | = | 935.5 | nM | 6.03 |
| CHEMBL560942 | — | Kd | = | 973.4 | nM | 6.01 |
| CHEMBL556859 | — | Kd | = | 988.1 | nM | 6.00 |
| CHEMBL562084 | — | Kd | = | 1116.3 | nM | 5.95 |
| CHEMBL556510 | — | Kd | = | 1182.4 | nM | 5.93 |
| CHEMBL562085 | — | Kd | = | 1375.9 | nM | 5.86 |
| CHEMBL556443 | — | Kd | = | 1417.3 | nM | 5.85 |
| CHEMBL549452 | — | Kd | = | 1618.3 | nM | 5.79 |
| CHEMBL562205 | — | Kd | = | 1739.2 | nM | 5.76 |
| CHEMBL563854 | — | Kd | = | 2356.8 | nM | 5.63 |
| CHEMBL562284 | — | Kd | = | 10490.3 | nM | 4.98 |