Assay Detail
Binding
CHEMBL4202010
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Inhibition of human recombinant ALDH1A3 assessed as reduction in of NAD(P)H formation incubated for 2 mins by spectrophotometry
22
Total Activities
22
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 |
Publication
Structure-Based Optimization of a Novel Class of Aldehyde Dehydrogenase 1A (ALDH1A) Subfamily-Selective Inhibitors as Potential Adjuncts to Ovarian Cancer Chemotherapy.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 22 | 6.20 | 7.05 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL4213331 | — | — | 1 | 7.05 |
| CHEMBL4210115 | — | — | 1 | 6.92 |
| CHEMBL4217452 | — | — | 1 | 6.89 |
| CHEMBL4214509 | — | — | 1 | 6.89 |
| CHEMBL4205216 | — | — | 1 | 6.77 |
| CHEMBL4216790 | — | — | 1 | 6.77 |
| CHEMBL4213859 | — | — | 1 | 6.75 |
| CHEMBL4217294 | — | — | 1 | 6.41 |
| CHEMBL4205099 | — | — | 1 | 6.26 |
| CHEMBL4218404 | — | — | 1 | 6.21 |
| CHEMBL4205427 | — | — | 1 | 6.12 |
| CHEMBL4213258 | — | — | 1 | 6.11 |
| CHEMBL4214000 | — | — | 1 | 6.00 |
| CHEMBL4206667 | — | — | 1 | 5.66 |
| CHEMBL4209599 | — | — | 1 | 5.58 |
| CHEMBL4210318 | — | — | 1 | 5.58 |
| CHEMBL4218920 | — | — | 1 | 5.41 |
| CHEMBL4204451 | — | — | 1 | 5.40 |
| CHEMBL4205844 | — | — | 1 | 5.00 |
| CHEMBL4210829 | — | — | 1 | - |
| CHEMBL4209261 | — | — | 1 | - |
| CHEMBL4204754 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL4213331 | — | IC50 | = | 90.0 | nM | 7.05 |
| CHEMBL4210115 | — | IC50 | = | 120.0 | nM | 6.92 |
| CHEMBL4217452 | — | IC50 | = | 130.0 | nM | 6.89 |
| CHEMBL4214509 | — | IC50 | = | 130.0 | nM | 6.89 |
| CHEMBL4205216 | — | IC50 | = | 170.0 | nM | 6.77 |
| CHEMBL4216790 | — | IC50 | = | 170.0 | nM | 6.77 |
| CHEMBL4213859 | — | IC50 | = | 180.0 | nM | 6.75 |
| CHEMBL4217294 | — | IC50 | = | 390.0 | nM | 6.41 |
| CHEMBL4205099 | — | IC50 | = | 550.0 | nM | 6.26 |
| CHEMBL4218404 | — | IC50 | = | 610.0 | nM | 6.21 |
| CHEMBL4205427 | — | IC50 | = | 750.0 | nM | 6.12 |
| CHEMBL4213258 | — | IC50 | = | 780.0 | nM | 6.11 |
| CHEMBL4214000 | — | IC50 | = | 1000.0 | nM | 6.00 |
| CHEMBL4206667 | — | IC50 | = | 2200.0 | nM | 5.66 |
| CHEMBL4209599 | — | IC50 | = | 2600.0 | nM | 5.58 |
| CHEMBL4210318 | — | IC50 | = | 2600.0 | nM | 5.58 |
| CHEMBL4218920 | — | IC50 | = | 3900.0 | nM | 5.41 |
| CHEMBL4204451 | — | IC50 | = | 4000.0 | nM | 5.40 |
| CHEMBL4205844 | — | IC50 | = | 10000.0 | nM | 5.00 |
| CHEMBL4210829 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL4209261 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL4204754 | — | IC50 | > | 10000.0 | nM | - |