Assay Detail
Binding
CHEMBL4202007
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Inhibition of human recombinant ALDH1A1 assessed as reduction in of NAD(P)H formation incubated for 2 mins by spectrophotometry
28
Total Activities
28
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 | 28 | 6.31 | 7.10 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL4210115 | — | — | 1 | 7.10 |
| CHEMBL4213331 | — | — | 1 | 7.10 |
| CHEMBL4214000 | — | — | 1 | 7.00 |
| CHEMBL4205957 | — | — | 1 | 6.96 |
| CHEMBL4205216 | — | — | 1 | 6.89 |
| CHEMBL4216790 | — | — | 1 | 6.89 |
| CHEMBL4204754 | — | — | 1 | 6.75 |
| CHEMBL4209599 | — | — | 1 | 6.70 |
| CHEMBL4205844 | — | — | 1 | 6.60 |
| CHEMBL4214509 | — | — | 1 | 6.60 |
| CHEMBL4208443 | — | — | 1 | 6.58 |
| CHEMBL4217452 | — | — | 1 | 6.57 |
| CHEMBL4218404 | — | — | 1 | 6.47 |
| CHEMBL4218270 | — | — | 1 | 6.38 |
| CHEMBL4218920 | — | — | 1 | 6.36 |
| CHEMBL4217294 | — | — | 1 | 6.35 |
| CHEMBL4205099 | — | — | 1 | 6.25 |
| CHEMBL4204451 | — | — | 1 | 6.18 |
| CHEMBL4206667 | — | — | 1 | 6.17 |
| CHEMBL4217738 | — | — | 1 | 6.05 |
| CHEMBL4209261 | — | — | 1 | 6.05 |
| CHEMBL4210829 | — | — | 1 | 6.01 |
| CHEMBL4213859 | — | — | 1 | 5.85 |
| CHEMBL4211127 | — | — | 1 | 5.62 |
| CHEMBL4213798 | — | — | 1 | 5.42 |
| CHEMBL4218792 | — | — | 1 | 5.39 |
| CHEMBL4210318 | — | — | 1 | 5.39 |
| CHEMBL4213258 | — | — | 1 | 5.09 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL4210115 | — | IC50 | = | 80.0 | nM | 7.10 |
| CHEMBL4213331 | — | IC50 | = | 80.0 | nM | 7.10 |
| CHEMBL4214000 | — | IC50 | = | 100.0 | nM | 7.00 |
| CHEMBL4205957 | — | IC50 | = | 110.0 | nM | 6.96 |
| CHEMBL4205216 | — | IC50 | = | 130.0 | nM | 6.89 |
| CHEMBL4216790 | — | IC50 | = | 130.0 | nM | 6.89 |
| CHEMBL4204754 | — | IC50 | = | 180.0 | nM | 6.75 |
| CHEMBL4209599 | — | IC50 | = | 200.0 | nM | 6.70 |
| CHEMBL4205844 | — | IC50 | = | 250.0 | nM | 6.60 |
| CHEMBL4214509 | — | IC50 | = | 250.0 | nM | 6.60 |
| CHEMBL4208443 | — | IC50 | = | 260.0 | nM | 6.58 |
| CHEMBL4217452 | — | IC50 | = | 270.0 | nM | 6.57 |
| CHEMBL4218404 | — | IC50 | = | 340.0 | nM | 6.47 |
| CHEMBL4218270 | — | IC50 | = | 420.0 | nM | 6.38 |
| CHEMBL4218920 | — | IC50 | = | 440.0 | nM | 6.36 |
| CHEMBL4217294 | — | IC50 | = | 450.0 | nM | 6.35 |
| CHEMBL4205099 | — | IC50 | = | 560.0 | nM | 6.25 |
| CHEMBL4204451 | — | IC50 | = | 660.0 | nM | 6.18 |
| CHEMBL4206667 | — | IC50 | = | 670.0 | nM | 6.17 |
| CHEMBL4217738 | — | IC50 | = | 900.0 | nM | 6.05 |
| CHEMBL4209261 | — | IC50 | = | 890.0 | nM | 6.05 |
| CHEMBL4210829 | — | IC50 | = | 970.0 | nM | 6.01 |
| CHEMBL4213859 | — | IC50 | = | 1400.0 | nM | 5.85 |
| CHEMBL4211127 | — | IC50 | = | 2400.0 | nM | 5.62 |
| CHEMBL4213798 | — | IC50 | = | 3830.0 | nM | 5.42 |
| CHEMBL4218792 | — | IC50 | = | 4100.0 | nM | 5.39 |
| CHEMBL4210318 | — | IC50 | = | 4100.0 | nM | 5.39 |
| CHEMBL4213258 | — | IC50 | = | 8200.0 | nM | 5.09 |