Assay Detail
Binding
CHEMBL4821208
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Inhibition of ALDH1A1 (unknown origin)
17
Total Activities
17
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
Development of new disulfiram analogues as ALDH1a1-selective inhibitors.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 17 | 6.50 | 7.70 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL120563 | THIRAM | 2.0 | 1 | 7.70 |
| CHEMBL121556 | — | — | 1 | 7.40 |
| CHEMBL121516 | BIS(PIPERIDINYLTHIOCARBONYL)DISULFIDE | — | 1 | 7.30 |
| CHEMBL964 | DISULFIRAM | 4.0 | 1 | 6.89 |
| CHEMBL4869675 | — | — | 1 | 6.82 |
| CHEMBL4861113 | — | — | 1 | 6.77 |
| CHEMBL4854915 | — | — | 1 | 6.68 |
| CHEMBL578805 | — | — | 1 | 6.57 |
| CHEMBL4858425 | — | — | 1 | 5.59 |
| CHEMBL4858703 | — | — | 1 | 5.54 |
| CHEMBL4878814 | — | — | 1 | 5.53 |
| CHEMBL333177 | — | — | 1 | 5.25 |
| CHEMBL4871643 | — | — | 1 | - |
| CHEMBL120082 | BIS(DIBENZYLAMINETHIOCARBONYL)DISULFIDE | — | 1 | - |
| CHEMBL1256137 | CYSTEAMINE HYDROCHLORIDE | 4.0 | 1 | - |
| CHEMBL1594935 | CYSTAMINE DIHYDROCHLORIDE | — | 1 | - |
| CHEMBL507900 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL120563 | THIRAM | IC50 | = | 20.0 | nM | 7.70 |
| CHEMBL121556 | — | IC50 | = | 40.0 | nM | 7.40 |
| CHEMBL121516 | BIS(PIPERIDINYLTHIOCARBONYL)DISULFIDE | IC50 | = | 50.0 | nM | 7.30 |
| CHEMBL964 | DISULFIRAM | IC50 | = | 130.0 | nM | 6.89 |
| CHEMBL4869675 | — | IC50 | = | 150.0 | nM | 6.82 |
| CHEMBL4861113 | — | IC50 | = | 170.0 | nM | 6.77 |
| CHEMBL4854915 | — | IC50 | = | 210.0 | nM | 6.68 |
| CHEMBL578805 | — | IC50 | = | 270.0 | nM | 6.57 |
| CHEMBL4858425 | — | IC50 | = | 2540.0 | nM | 5.59 |
| CHEMBL4858703 | — | IC50 | = | 2850.0 | nM | 5.54 |
| CHEMBL4878814 | — | IC50 | = | 2950.0 | nM | 5.53 |
| CHEMBL333177 | — | IC50 | = | 5610.0 | nM | 5.25 |
| CHEMBL4871643 | — | IC50 | > | 100000.0 | nM | - |
| CHEMBL120082 | BIS(DIBENZYLAMINETHIOCARBONYL)DISULFIDE | IC50 | > | 100000.0 | nM | - |
| CHEMBL1256137 | CYSTEAMINE HYDROCHLORIDE | IC50 | - | — | - | |
| CHEMBL1594935 | CYSTAMINE DIHYDROCHLORIDE | IC50 | > | 100000.0 | nM | - |
| CHEMBL507900 | — | IC50 | - | — | - |