Assay Detail
Binding
CHEMBL3885757
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Single-Cycle Kinetic parameter establishment of 8 compounds to gain n=3
21
Total Activities
7
Compounds Tested
3
Activity Types
20
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Homo sapiens |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Publication
K4DD drug target binding kinetics data
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| kon | 7 | - | - |
| k_off | 7 | - | - |
| Kd | 7 | 7.99 | 8.88 |
Assay Parameters
| Parameter | Type | Value | Units | Text |
|---|---|---|---|---|
| assay_comment | assay_comment | - | — | Single Cycle Kinetics 4000RU Immobolization Density Unphosphorylated (Peak1) AuroraA |
| assay_method | assay_method | - | — | SPR |
| data_collection_rate | data_collection_rate | 10.0 | Hz | — |
| fitting_model | fitting_model | - | — | 01:01 |
| fitting_parameter_mass_transfer | fitting_parameter_mass_transfer | - | — | global |
| fitting_parameter_offset | fitting_parameter_offset | - | — | local |
| fitting_parameter_rmax | fitting_parameter_rmax | - | — | global |
| immobilization_buffer_composition | immobilization_buffer_composition | - | — | PBS Buffer Solution (From 10x Stock); 1mM DTT; 0.05% Tween-20 |
| immobilization_chip_used | immobilization_chip_used | - | — | CM5 |
| immobilization_contact_time | immobilization_contact_time | 420.0 | s | — |
| immobilization_flow_rate | immobilization_flow_rate | 100.0 | uL/min | — |
| immobilization_method | immobilization_method | - | — | Amine coupling |
| immobilization_ph | immobilization_ph | 7.4 | — | — |
| immobilization_temperature | immobilization_temperature | 25.0 | degree C | — |
| instrument | instrument | - | — | Biacore T200 |
| preparation_reference_surface | preparation_reference_surface | - | — | The chip was primed for amine coupling using pre-conditioning solutions of: 50mM NaOH 100mM HCl 0.5% SDS |
| protein_modification | protein_modification | - | — | None |
| protein_molecular_weight | protein_molecular_weight | 32869.7 | kDa | — |
| protein_mutation_type | protein_mutation_type | - | — | native protein |
| reference1_fraction_active | reference1_fraction_active | 60.17 | % | — |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL572878 | TOZASERTIB | 2.0 | 3 | 8.88 |
| CHEMBL259084 | MLN-8054 | 1.0 | 3 | 8.70 |
| CHEMBL402548 | DANUSERTIB | 2.0 | 3 | 8.43 |
| CHEMBL363160 | PHA-680632 | — | 3 | 8.41 |
| CHEMBL1090479 | GSK-1070916 | 1.0 | 3 | 7.91 |
| CHEMBL191003 | JNJ-7706621 | — | 3 | 7.19 |
| CHEMBL215152 | DEFOSBARASERTIB | 2.0 | 3 | 6.40 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL572878 | TOZASERTIB | Kd | = | 1.306 | nM | 8.88 |
| CHEMBL259084 | MLN-8054 | Kd | = | 1.977 | nM | 8.70 |
| CHEMBL402548 | DANUSERTIB | Kd | = | 3.72 | nM | 8.43 |
| CHEMBL363160 | PHA-680632 | Kd | = | 3.927 | nM | 8.41 |
| CHEMBL1090479 | GSK-1070916 | Kd | = | 12.3 | nM | 7.91 |
| CHEMBL191003 | JNJ-7706621 | Kd | = | 65.21 | nM | 7.19 |
| CHEMBL215152 | DEFOSBARASERTIB | Kd | = | 400.67 | nM | 6.40 |
| CHEMBL363160 | PHA-680632 | k_off | = | 0.01476 | s-1 | - |
| CHEMBL572878 | TOZASERTIB | kon | = | 20289000.0 | Ms-1 | - |
| CHEMBL1090479 | GSK-1070916 | k_off | = | 0.004305 | s-1 | - |
| CHEMBL191003 | JNJ-7706621 | kon | = | 2910066.67 | Ms-1 | - |
| CHEMBL191003 | JNJ-7706621 | k_off | = | 0.04738 | s-1 | - |
| CHEMBL572878 | TOZASERTIB | k_off | = | 0.004268 | s-1 | - |
| CHEMBL402548 | DANUSERTIB | kon | = | 2385333.33 | Ms-1 | - |
| CHEMBL259084 | MLN-8054 | kon | = | 2199000.0 | Ms-1 | - |
| CHEMBL363160 | PHA-680632 | kon | = | 3968000.0 | Ms-1 | - |
| CHEMBL402548 | DANUSERTIB | k_off | = | 0.008097 | s-1 | - |
| CHEMBL259084 | MLN-8054 | k_off | = | 0.005574 | s-1 | - |
| CHEMBL1090479 | GSK-1070916 | kon | = | 426533.33 | Ms-1 | - |
| CHEMBL215152 | DEFOSBARASERTIB | kon | = | 492466.67 | Ms-1 | - |
| CHEMBL215152 | DEFOSBARASERTIB | k_off | = | 0.1847 | s-1 | - |