Assay Detail
Binding
CHEMBL4376067
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Inhibition of Cys5-LDEETGEFL-NH2 binding to recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) measured after 10 to 15 mins by fluorescence polarization assay
26
Total Activities
25
Compounds Tested
3
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Homo sapiens |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Target
Kelch-like ECH-associated protein 1 (CHEMBL2069156) ↗| Type | SINGLE PROTEIN |
| Organism | Homo sapiens |
Publication
A Comparative Assessment Study of Known Small-Molecule Keap1-Nrf2 Protein-Protein Interaction Inhibitors: Chemical Synthesis, Binding Properties, and Cellular Activity.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 21 | 7.04 | 9.00 |
| Inhibition | 4 | - | - |
| IC50 | 1 | 8.10 | 8.10 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL3819587 | — | — | 2 | 9.00 |
| CHEMBL4077198 | — | — | 1 | 8.68 |
| CHEMBL3237245 | — | — | 1 | 8.21 |
| CHEMBL4440989 | — | — | 1 | 7.89 |
| CHEMBL3899754 | — | — | 1 | 7.32 |
| CHEMBL4534676 | — | — | 1 | 7.29 |
| CHEMBL3632711 | — | — | 1 | 7.28 |
| CHEMBL2402207 | — | — | 1 | 6.60 |
| CHEMBL3423015 | — | — | 1 | 6.27 |
| CHEMBL2381968 | — | — | 1 | 6.25 |
| CHEMBL2402206 | — | — | 1 | 5.55 |
| CHEMBL3235901 | — | — | 1 | 4.15 |
| CHEMBL3617836 | — | — | 1 | - |
| CHEMBL4167734 | — | — | 1 | - |
| CHEMBL4576082 | — | — | 1 | - |
| CHEMBL4164286 | — | — | 1 | - |
| CHEMBL3586646 | — | — | 1 | - |
| CHEMBL4166691 | — | — | 1 | - |
| CHEMBL3134423 | — | — | 1 | - |
| CHEMBL3235898 | — | — | 1 | - |
| CHEMBL256097 | — | — | 1 | - |
| CHEMBL71595 | HYDROGEN PEROXIDE | 4.0 | 1 | - |
| CHEMBL601757 | — | — | 1 | - |
| CHEMBL1239 | BENZYL BENZOATE | 4.0 | 1 | - |
| CHEMBL104 | CLOTRIMAZOLE | 4.0 | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL3819587 | — | Ki | = | 1.0 | nM | 9.00 |
| CHEMBL4077198 | — | Ki | = | 2.1 | nM | 8.68 |
| CHEMBL3237245 | — | Ki | = | 6.1 | nM | 8.21 |
| CHEMBL3819587 | — | IC50 | = | 8.0 | nM | 8.10 |
| CHEMBL4440989 | — | Ki | = | 13.0 | nM | 7.89 |
| CHEMBL3899754 | — | Ki | = | 48.0 | nM | 7.32 |
| CHEMBL4534676 | — | Ki | = | 51.0 | nM | 7.29 |
| CHEMBL3632711 | — | Ki | = | 53.0 | nM | 7.28 |
| CHEMBL2402207 | — | Ki | = | 250.0 | nM | 6.60 |
| CHEMBL3423015 | — | Ki | = | 540.0 | nM | 6.27 |
| CHEMBL2381968 | — | Ki | = | 560.0 | nM | 6.25 |
| CHEMBL2402206 | — | Ki | = | 2800.0 | nM | 5.55 |
| CHEMBL3235901 | — | Ki | = | 71000.0 | nM | 4.15 |
| CHEMBL104 | CLOTRIMAZOLE | Inhibition | - | % | - | |
| CHEMBL1239 | BENZYL BENZOATE | Inhibition | - | % | - | |
| CHEMBL601757 | — | Inhibition | - | % | - | |
| CHEMBL71595 | HYDROGEN PEROXIDE | Inhibition | - | % | - | |
| CHEMBL256097 | — | Ki | <= | 200000.0 | nM | - |
| CHEMBL3235898 | — | Ki | = | 280000.0 | nM | - |
| CHEMBL3134423 | — | Ki | <= | 49000.0 | nM | - |
| CHEMBL4166691 | — | Ki | <= | 99000.0 | nM | - |
| CHEMBL3586646 | — | Ki | <= | 800000.0 | nM | - |
| CHEMBL4164286 | — | Ki | <= | 800000.0 | nM | - |
| CHEMBL4576082 | — | Ki | <= | 800000.0 | nM | - |
| CHEMBL4167734 | — | Ki | <= | 77000.0 | nM | - |
| CHEMBL3617836 | — | Ki | <= | 100000.0 | nM | - |