Assay Detail
Binding
CHEMBL3707546
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Flashplate Assay: 1 nM IKKe, 800 nM biotinylated IkBalpha(19-42) peptide (Biotin-C6-C6-GLKKERLLDDRHDSGLDSMKDEE) and 10 μM ATP (spiked with 0.3 uCi of 33P-ATP/well) are incubated at 30 C. for 2 hours in a total volume of 50 ul (10 mM MOPS, 10 mM Mg acetate, 0.1 mM EGTA, 1 mM dithiothreitol, 0.02% of Brij35, 0.1% of BSA, 0.1% of BioStab, pH 7.5) with or without test compound. The reaction is stopped using 25 ul of 200 mM EDTA. After 30 min at room temperature, the liquid is removed, and each well is washed three times with 100 μl of 0.9% sodium chloride solution. Non-specific reaction is determined in the presence of 3 uM MSC2119074 (BX-795). The radioactivity is measured using a Topcount (PerkinElmer).
95
Total Activities
95
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Homo sapiens |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Target
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (CHEMBL3529) ↗| Type | SINGLE PROTEIN |
| Organism | Homo sapiens |
Publication
Benzonitrile derivatives as kinase inhibitors
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 95 | 7.29 | 9.00 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL3682430 | — | — | 1 | 9.00 |
| CHEMBL3687186 | — | — | 1 | 8.70 |
| CHEMBL3682431 | — | — | 1 | 8.40 |
| CHEMBL3682423 | — | — | 1 | 8.40 |
| CHEMBL3687181 | — | — | 1 | 8.30 |
| CHEMBL3639859 | — | — | 1 | 8.30 |
| CHEMBL3682420 | — | — | 1 | 8.22 |
| CHEMBL3687175 | — | — | 1 | 8.22 |
| CHEMBL3682427 | — | — | 1 | 8.22 |
| CHEMBL3682434 | — | — | 1 | 8.22 |
| CHEMBL3682428 | — | — | 1 | 8.15 |
| CHEMBL3687159 | — | — | 1 | 8.15 |
| CHEMBL3687132 | — | — | 1 | 8.10 |
| CHEMBL3687121 | — | — | 1 | 8.10 |
| CHEMBL3687128 | — | — | 1 | 8.10 |
| CHEMBL3687125 | — | — | 1 | 8.10 |
| CHEMBL3687129 | — | — | 1 | 8.10 |
| CHEMBL3682429 | — | — | 1 | 8.00 |
| CHEMBL3687185 | — | — | 1 | 8.00 |
| CHEMBL3687111 | — | — | 1 | 8.00 |
| CHEMBL3682433 | — | — | 1 | 7.92 |
| CHEMBL3687160 | — | — | 1 | 7.89 |
| CHEMBL3687151 | — | — | 1 | 7.82 |
| CHEMBL3687183 | — | — | 1 | 7.82 |
| CHEMBL3687176 | — | — | 1 | 7.75 |
| CHEMBL3687124 | — | — | 1 | 7.75 |
| CHEMBL3687148 | — | — | 1 | 7.70 |
| CHEMBL3682432 | — | — | 1 | 7.68 |
| CHEMBL3687158 | — | — | 1 | 7.68 |
| CHEMBL3687178 | — | — | 1 | 7.68 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL3682430 | — | IC50 | = | 1.0 | nM | 9.00 |
| CHEMBL3687186 | — | IC50 | = | 2.0 | nM | 8.70 |
| CHEMBL3682423 | — | IC50 | = | 4.0 | nM | 8.40 |
| CHEMBL3682431 | — | IC50 | = | 4.0 | nM | 8.40 |
| CHEMBL3687181 | — | IC50 | = | 5.0 | nM | 8.30 |
| CHEMBL3639859 | — | IC50 | = | 5.0 | nM | 8.30 |
| CHEMBL3682420 | — | IC50 | = | 6.0 | nM | 8.22 |
| CHEMBL3687175 | — | IC50 | = | 6.0 | nM | 8.22 |
| CHEMBL3682427 | — | IC50 | = | 6.0 | nM | 8.22 |
| CHEMBL3682434 | — | IC50 | = | 6.0 | nM | 8.22 |
| CHEMBL3682428 | — | IC50 | = | 7.0 | nM | 8.15 |
| CHEMBL3687159 | — | IC50 | = | 7.0 | nM | 8.15 |
| CHEMBL3687125 | — | IC50 | = | 8.0 | nM | 8.10 |
| CHEMBL3687121 | — | IC50 | = | 8.0 | nM | 8.10 |
| CHEMBL3687132 | — | IC50 | = | 8.0 | nM | 8.10 |
| CHEMBL3687128 | — | IC50 | = | 8.0 | nM | 8.10 |
| CHEMBL3687129 | — | IC50 | = | 8.0 | nM | 8.10 |
| CHEMBL3682429 | — | IC50 | = | 10.0 | nM | 8.00 |
| CHEMBL3687185 | — | IC50 | = | 10.0 | nM | 8.00 |
| CHEMBL3687111 | — | IC50 | = | 10.0 | nM | 8.00 |
| CHEMBL3682433 | — | IC50 | = | 12.0 | nM | 7.92 |
| CHEMBL3687160 | — | IC50 | = | 13.0 | nM | 7.89 |
| CHEMBL3687151 | — | IC50 | = | 15.0 | nM | 7.82 |
| CHEMBL3687183 | — | IC50 | = | 15.0 | nM | 7.82 |
| CHEMBL3687124 | — | IC50 | = | 18.0 | nM | 7.75 |
| CHEMBL3687176 | — | IC50 | = | 18.0 | nM | 7.75 |
| CHEMBL3687148 | — | IC50 | = | 20.0 | nM | 7.70 |
| CHEMBL3682432 | — | IC50 | = | 21.0 | nM | 7.68 |
| CHEMBL3687158 | — | IC50 | = | 21.0 | nM | 7.68 |
| CHEMBL3687178 | — | IC50 | = | 21.0 | nM | 7.68 |
| CHEMBL3687180 | — | IC50 | = | 25.0 | nM | 7.60 |
| CHEMBL3687155 | — | IC50 | = | 25.0 | nM | 7.60 |
| CHEMBL3687182 | — | IC50 | = | 25.0 | nM | 7.60 |
| CHEMBL3687133 | — | IC50 | = | 25.0 | nM | 7.60 |
| CHEMBL3687168 | — | IC50 | = | 27.0 | nM | 7.57 |
| CHEMBL3687137 | — | IC50 | = | 30.0 | nM | 7.52 |
| CHEMBL3687142 | — | IC50 | = | 30.0 | nM | 7.52 |
| CHEMBL3687163 | — | IC50 | = | 37.0 | nM | 7.43 |
| CHEMBL3687149 | — | IC50 | = | 38.0 | nM | 7.42 |
| CHEMBL3687130 | — | IC50 | = | 39.0 | nM | 7.41 |
| CHEMBL3687127 | — | IC50 | = | 39.0 | nM | 7.41 |
| CHEMBL3687126 | — | IC50 | = | 40.0 | nM | 7.40 |
| CHEMBL3687153 | — | IC50 | = | 43.0 | nM | 7.37 |
| CHEMBL3687172 | — | IC50 | = | 45.0 | nM | 7.35 |
| CHEMBL3687118 | — | IC50 | = | 45.0 | nM | 7.35 |
| CHEMBL3687138 | — | IC50 | = | 45.0 | nM | 7.35 |
| CHEMBL3687136 | — | IC50 | = | 46.0 | nM | 7.34 |
| CHEMBL3687162 | — | IC50 | = | 51.0 | nM | 7.29 |
| CHEMBL3687174 | — | IC50 | = | 58.0 | nM | 7.24 |
| CHEMBL3687135 | — | IC50 | = | 65.0 | nM | 7.19 |