Assay Detail
Binding
CHEMBL645176
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Inhibitory activity against horse liver alcohol dehydrogenase (ADH)
42
Total Activities
42
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Equus caballus |
| Confidence | 5 — Multiple protein complex / RNA |
| Curated By | Intermediate |
Publication
A quantitative structure-activity relationship and molecular graphics analysis of hydrophobic effects in the interactions of inhibitors with alcohol dehydrogenase.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 42 | 5.95 | 8.88 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL160460 | — | — | 1 | 8.88 |
| CHEMBL156094 | — | — | 1 | 8.60 |
| CHEMBL345910 | — | — | 1 | 7.82 |
| CHEMBL351768 | — | — | 1 | 7.65 |
| CHEMBL449955 | — | — | 1 | 7.58 |
| CHEMBL156155 | — | — | 1 | 7.52 |
| CHEMBL158183 | — | — | 1 | 7.40 |
| CHEMBL1308 | FOMEPIZOLE | 4.0 | 1 | 6.85 |
| CHEMBL351794 | — | — | 1 | 6.00 |
| CHEMBL348324 | — | — | 1 | 5.92 |
| CHEMBL346707 | — | — | 1 | 5.75 |
| CHEMBL15967 | PYRAZOLE | — | 1 | 5.73 |
| CHEMBL155736 | — | — | 1 | 5.70 |
| CHEMBL155857 | — | — | 1 | 5.70 |
| CHEMBL46293 | — | — | 1 | 5.52 |
| CHEMBL157956 | — | — | 1 | 5.22 |
| CHEMBL345636 | — | — | 1 | 5.15 |
| CHEMBL156355 | — | — | 1 | 5.10 |
| CHEMBL351777 | — | — | 1 | 4.70 |
| CHEMBL156437 | — | — | 1 | 4.70 |
| CHEMBL157245 | — | — | 1 | 4.60 |
| CHEMBL160368 | — | — | 1 | 4.19 |
| CHEMBL157604 | — | — | 1 | 4.15 |
| CHEMBL157024 | — | — | 1 | 4.10 |
| CHEMBL157192 | — | — | 1 | 4.10 |
| CHEMBL276727 | IODOACETAMIDE | — | 1 | - |
| CHEMBL53752 | — | — | 1 | - |
| CHEMBL60628 | — | — | 1 | - |
| CHEMBL347645 | — | — | 1 | - |
| CHEMBL352219 | ISOBUTYRAMIDE | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL160460 | — | Ki | = | 1.318 | nM | 8.88 |
| CHEMBL156094 | — | Ki | = | 2.512 | nM | 8.60 |
| CHEMBL345910 | — | Ki | = | 15.14 | nM | 7.82 |
| CHEMBL351768 | — | Ki | = | 22.39 | nM | 7.65 |
| CHEMBL449955 | — | Ki | = | 26.3 | nM | 7.58 |
| CHEMBL156155 | — | Ki | = | 30.2 | nM | 7.52 |
| CHEMBL158183 | — | Ki | = | 39.81 | nM | 7.40 |
| CHEMBL1308 | FOMEPIZOLE | Ki | = | 141.25 | nM | 6.85 |
| CHEMBL351794 | — | Ki | = | 1000.0 | nM | 6.00 |
| CHEMBL348324 | — | Ki | = | 1202.26 | nM | 5.92 |
| CHEMBL346707 | — | Ki | = | 1778.28 | nM | 5.75 |
| CHEMBL15967 | PYRAZOLE | Ki | = | 1862.09 | nM | 5.73 |
| CHEMBL155736 | — | Ki | = | 1995.26 | nM | 5.70 |
| CHEMBL155857 | — | Ki | = | 1995.26 | nM | 5.70 |
| CHEMBL46293 | — | Ki | = | 3019.95 | nM | 5.52 |
| CHEMBL157956 | — | Ki | = | 6025.6 | nM | 5.22 |
| CHEMBL345636 | — | Ki | = | 7079.46 | nM | 5.15 |
| CHEMBL156355 | — | Ki | = | 7943.28 | nM | 5.10 |
| CHEMBL351777 | — | Ki | = | 19952.62 | nM | 4.70 |
| CHEMBL156437 | — | Ki | = | 19952.62 | nM | 4.70 |
| CHEMBL157245 | — | Ki | = | 25118.86 | nM | 4.60 |
| CHEMBL160368 | — | Ki | = | 64565.42 | nM | 4.19 |
| CHEMBL157604 | — | Ki | = | 70794.58 | nM | 4.15 |
| CHEMBL157024 | — | Ki | = | 79432.82 | nM | 4.10 |
| CHEMBL157192 | — | Ki | = | 79432.82 | nM | 4.10 |
| CHEMBL160811 | MONOFLUOROACETAMIDE | Ki | = | 38904514.5 | nM | - |
| CHEMBL156196 | — | Ki | = | 3235936.57 | nM | - |
| CHEMBL117012 | TRIFLUOROACETAMIDE | Ki | = | 46773514.13 | nM | - |
| CHEMBL346368 | — | Ki | = | 7585775.75 | nM | - |
| CHEMBL156653 | — | Ki | = | 6456542.29 | nM | - |
| CHEMBL158237 | — | Ki | = | 954992.59 | nM | - |
| CHEMBL58562 | — | Ki | = | 1288249.55 | nM | - |
| CHEMBL156852 | — | Ki | = | 75857757.5 | nM | - |
| CHEMBL348107 | ACRYLAMIDE | Ki | = | 7762471.17 | nM | - |
| CHEMBL331157 | — | Ki | = | 8511380.38 | nM | - |
| CHEMBL345235 | PIVALAMIDE | Ki | = | 3467368.5 | nM | - |
| CHEMBL349570 | — | Ki | = | 389045.14 | nM | - |
| CHEMBL352219 | ISOBUTYRAMIDE | Ki | = | 169824.37 | nM | - |
| CHEMBL347645 | — | Ki | = | 141253.75 | nM | - |
| CHEMBL60628 | — | Ki | = | 5754399.37 | nM | - |
| CHEMBL53752 | — | Ki | = | 707945.78 | nM | - |
| CHEMBL276727 | IODOACETAMIDE | Ki | = | 1905460.72 | nM | - |