Assay Detail
Binding
CHEMBL891104
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Inhibition of pieris rapae Phenoloxidase
115
Total Activities
57
Compounds Tested
2
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Pieris rapae |
| Confidence | 0 — Uncurated / Unknown |
| Curated By | Autocuration |
Publication
3D-QSAR and molecular docking studies of benzaldehyde thiosemicarbazone, benzaldehyde, benzoic acid, and their derivatives as phenoloxidase inhibitors.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 114 | 5.79 | 6.58 |
| Ki | 1 | 6.40 | 6.40 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL242103 | — | — | 2 | 6.58 |
| CHEMBL396026 | — | — | 3 | 6.55 |
| CHEMBL243187 | — | — | 2 | 6.54 |
| CHEMBL242106 | — | — | 2 | 6.46 |
| CHEMBL241902 | — | — | 2 | 6.44 |
| CHEMBL242113 | — | — | 2 | 6.36 |
| CHEMBL390625 | — | — | 2 | 6.28 |
| CHEMBL242752 | — | — | 2 | 6.25 |
| CHEMBL398206 | — | — | 2 | 6.22 |
| CHEMBL388025 | CINNAMALDEHYDE THIOSEMICARBAZONE | — | 2 | 6.19 |
| CHEMBL243185 | PHENYLTHIOSEMICARBAZONE | — | 2 | 6.08 |
| CHEMBL243127 | — | — | 2 | 5.98 |
| CHEMBL241894 | — | — | 2 | 5.72 |
| CHEMBL242114 | — | — | 2 | 5.68 |
| CHEMBL242112 | SALICYLALDEHYDE THIOSEMICARBAZONE | — | 2 | 5.66 |
| CHEMBL241893 | — | — | 2 | 5.65 |
| CHEMBL242115 | — | — | 2 | 5.57 |
| CHEMBL242104 | — | — | 2 | 5.48 |
| CHEMBL396025 | — | — | 2 | 4.81 |
| CHEMBL398205 | — | — | 2 | 4.67 |
| CHEMBL241901 | — | — | 2 | 4.14 |
| CHEMBL242105 | — | — | 2 | 4.00 |
| CHEMBL275563 | ISOVANILLIN | — | 2 | - |
| CHEMBL108925 | SALICYLADEHYDE | — | 2 | - |
| CHEMBL243587 | — | — | 2 | - |
| CHEMBL222021 | PROTOCATECHUALDEHYDE | — | 2 | - |
| CHEMBL396295 | 2-METHOXYBENZALDEHYDE | — | 2 | - |
| CHEMBL22585 | — | — | 2 | - |
| CHEMBL13859 | — | — | 2 | - |
| CHEMBL120568 | VANILLIC ACID | — | 2 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL242103 | — | IC50 | = | 260.0 | nM | 6.58 |
| CHEMBL396026 | — | IC50 | = | 280.0 | nM | 6.55 |
| CHEMBL243187 | — | IC50 | = | 290.0 | nM | 6.54 |
| CHEMBL242106 | — | IC50 | = | 350.0 | nM | 6.46 |
| CHEMBL241902 | — | IC50 | = | 360.0 | nM | 6.44 |
| CHEMBL396026 | — | Ki | = | 400.0 | nM | 6.40 |
| CHEMBL242113 | — | IC50 | = | 440.0 | nM | 6.36 |
| CHEMBL390625 | — | IC50 | = | 530.0 | nM | 6.28 |
| CHEMBL242752 | — | IC50 | = | 560.0 | nM | 6.25 |
| CHEMBL398206 | — | IC50 | = | 600.0 | nM | 6.22 |
| CHEMBL388025 | CINNAMALDEHYDE THIOSEMICARBAZONE | IC50 | = | 650.0 | nM | 6.19 |
| CHEMBL243185 | PHENYLTHIOSEMICARBAZONE | IC50 | = | 840.0 | nM | 6.08 |
| CHEMBL243127 | — | IC50 | = | 1050.0 | nM | 5.98 |
| CHEMBL241894 | — | IC50 | = | 1920.0 | nM | 5.72 |
| CHEMBL242114 | — | IC50 | = | 2080.0 | nM | 5.68 |
| CHEMBL242112 | SALICYLALDEHYDE THIOSEMICARBAZONE | IC50 | = | 2200.0 | nM | 5.66 |
| CHEMBL241893 | — | IC50 | = | 2250.0 | nM | 5.65 |
| CHEMBL242115 | — | IC50 | = | 2700.0 | nM | 5.57 |
| CHEMBL242104 | — | IC50 | = | 3300.0 | nM | 5.48 |
| CHEMBL396025 | — | IC50 | = | 15600.0 | nM | 4.81 |
| CHEMBL398205 | — | IC50 | = | 21600.0 | nM | 4.67 |
| CHEMBL241901 | — | IC50 | = | 72000.0 | nM | 4.14 |
| CHEMBL242105 | — | IC50 | = | 100000.0 | nM | 4.00 |
| CHEMBL116159 | — | IC50 | = | 575439937337.16 | nM | - |
| CHEMBL116157 | — | IC50 | = | 954992586021.44 | nM | - |
| CHEMBL93746 | — | IC50 | = | 478630092322.64 | nM | - |
| CHEMBL390624 | — | IC50 | = | 851138038202.38 | nM | - |
| CHEMBL14193 | 4-HYDROXYBENZALDEHYDE | IC50 | = | 323593656929.63 | nM | - |
| CHEMBL243186 | — | IC50 | = | 954992586021.44 | nM | - |
| CHEMBL161598 | ANISALDEHYDE | IC50 | = | 524807460249.77 | nM | - |
| CHEMBL37537 | PROTOCATECHUIC ACID | IC50 | = | 33884415613.92 | nM | - |
| CHEMBL243816 | 3-HYDROXYBENZALDEHYDE | IC50 | = | 9620000.0 | nM | - |
| CHEMBL13883 | VANILLIN | IC50 | = | 19952623149.69 | nM | - |
| CHEMBL116158 | — | IC50 | = | 524807460249.77 | nM | - |
| CHEMBL120568 | VANILLIC ACID | IC50 | = | 14454397707.46 | nM | - |
| CHEMBL65369 | 3-HYDROXYBENZOIC ACID | IC50 | = | 61659500186.15 | nM | - |
| CHEMBL350966 | — | IC50 | = | 501187233627.27 | nM | - |
| CHEMBL396295 | 2-METHOXYBENZALDEHYDE | IC50 | = | 9332543007.97 | nM | - |
| CHEMBL222021 | PROTOCATECHUALDEHYDE | IC50 | = | 112201845430.2 | nM | - |
| CHEMBL243587 | — | IC50 | = | 204173794466.95 | nM | - |
| CHEMBL108925 | SALICYLADEHYDE | IC50 | = | 239883291901.95 | nM | - |
| CHEMBL390625 | — | IC50 | = | 1905460717963252.2 | nM | - |
| CHEMBL243127 | — | IC50 | = | 954992586021436.9 | nM | - |
| CHEMBL243187 | — | IC50 | = | 3467368504525309.5 | nM | - |
| CHEMBL15972 | BENZALDEHYDE | IC50 | = | 5900000.0 | nM | - |
| CHEMBL241893 | — | IC50 | = | 446683592150963.5 | nM | - |
| CHEMBL398205 | — | IC50 | = | 46773514128719.81 | nM | - |
| CHEMBL241894 | — | IC50 | = | 524807460249771.25 | nM | - |
| CHEMBL398206 | — | IC50 | = | 1659586907437556.2 | nM | - |
| CHEMBL22585 | — | IC50 | = | 23442288153.2 | nM | - |