Assay Detail
Binding
CHEMBL934981
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Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay
45
Total Activities
45
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Homo sapiens |
| Cell Type | Topp 3 |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Publication
Three-dimensional quantitative structure-activity relationship analysis of human CYP51 inhibitors.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 45 | 5.44 | 7.30 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL808 | ECONAZOLE | 4.0 | 1 | 7.30 |
| CHEMBL104 | CLOTRIMAZOLE | 4.0 | 1 | 6.89 |
| CHEMBL157101 | KETOCONAZOLE | 4.0 | 1 | 6.72 |
| CHEMBL91 | MICONAZOLE | 4.0 | 1 | 6.70 |
| CHEMBL410852 | ANALOGUE A | — | 1 | 6.52 |
| CHEMBL277535 | BIFONAZOLE | 3.0 | 1 | 6.47 |
| CHEMBL259552 | — | — | 1 | 6.10 |
| CHEMBL409630 | — | — | 1 | 6.04 |
| CHEMBL258892 | — | — | 1 | 5.89 |
| CHEMBL259288 | — | — | 1 | 5.60 |
| CHEMBL1714574 | TERCONAZOLE | 4.0 | 1 | 5.52 |
| CHEMBL317410 | — | — | 1 | 5.51 |
| CHEMBL64391 | ITRACONAZOLE | 4.0 | 1 | 5.44 |
| CHEMBL99889 | — | — | 1 | 5.40 |
| CHEMBL265700 | — | — | 1 | 5.35 |
| CHEMBL410331 | — | — | 1 | 5.01 |
| CHEMBL261013 | — | — | 1 | 4.58 |
| CHEMBL374478 | RIFAMPIN | 4.0 | 1 | 4.52 |
| CHEMBL386630 | TESTOSTERONE | 4.0 | 1 | 4.30 |
| CHEMBL83668 | TOLNAFTATE | 3.0 | 1 | 4.30 |
| CHEMBL562 | GRISEOFULVIN | 4.0 | 1 | 4.30 |
| CHEMBL410851 | — | — | 1 | 4.12 |
| CHEMBL410134 | — | — | 1 | 4.00 |
| CHEMBL428079 | — | — | 1 | 4.00 |
| CHEMBL832 | SULFINPYRAZONE | 4.0 | 1 | - |
| CHEMBL15848 | ANANDAMIDE | — | 1 | - |
| CHEMBL498 | CHLORPROPAMIDE | 4.0 | 1 | - |
| CHEMBL15594 | ARACHIDONIC ACID | -1.0 | 1 | - |
| CHEMBL407132 | TRIARIMOL | — | 1 | - |
| CHEMBL261627 | AZACONAZOLE | 2.0 | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL808 | ECONAZOLE | IC50 | = | 50.0 | nM | 7.30 |
| CHEMBL104 | CLOTRIMAZOLE | IC50 | = | 130.0 | nM | 6.89 |
| CHEMBL157101 | KETOCONAZOLE | IC50 | = | 190.0 | nM | 6.72 |
| CHEMBL91 | MICONAZOLE | IC50 | = | 200.0 | nM | 6.70 |
| CHEMBL410852 | ANALOGUE A | IC50 | = | 300.0 | nM | 6.52 |
| CHEMBL277535 | BIFONAZOLE | IC50 | = | 342.0 | nM | 6.47 |
| CHEMBL259552 | — | IC50 | = | 800.0 | nM | 6.10 |
| CHEMBL409630 | — | IC50 | = | 910.0 | nM | 6.04 |
| CHEMBL258892 | — | IC50 | = | 1300.0 | nM | 5.89 |
| CHEMBL259288 | — | IC50 | = | 2500.0 | nM | 5.60 |
| CHEMBL1714574 | TERCONAZOLE | IC50 | = | 3000.0 | nM | 5.52 |
| CHEMBL317410 | — | IC50 | = | 3100.0 | nM | 5.51 |
| CHEMBL64391 | ITRACONAZOLE | IC50 | = | 3600.0 | nM | 5.44 |
| CHEMBL99889 | — | IC50 | = | 4000.0 | nM | 5.40 |
| CHEMBL265700 | — | IC50 | = | 4500.0 | nM | 5.35 |
| CHEMBL410331 | — | IC50 | = | 9700.0 | nM | 5.01 |
| CHEMBL261013 | — | IC50 | = | 26000.0 | nM | 4.58 |
| CHEMBL374478 | RIFAMPIN | IC50 | = | 30000.0 | nM | 4.52 |
| CHEMBL386630 | TESTOSTERONE | IC50 | = | 50000.0 | nM | 4.30 |
| CHEMBL83668 | TOLNAFTATE | IC50 | = | 50000.0 | nM | 4.30 |
| CHEMBL562 | GRISEOFULVIN | IC50 | = | 50000.0 | nM | 4.30 |
| CHEMBL410851 | — | IC50 | = | 75000.0 | nM | 4.12 |
| CHEMBL410134 | — | IC50 | = | 100000.0 | nM | 4.00 |
| CHEMBL428079 | — | IC50 | = | 100000.0 | nM | 4.00 |
| CHEMBL137 | METRONIDAZOLE | IC50 | > | 200000.0 | nM | - |
| CHEMBL631 | PROPAFENONE | IC50 | > | 200000.0 | nM | - |
| CHEMBL106 | FLUCONAZOLE | IC50 | > | 200000.0 | nM | - |
| CHEMBL782 | TOLBUTAMIDE | IC50 | > | 200000.0 | nM | - |
| CHEMBL1109 | SULFAPHENAZOLE | IC50 | > | 200000.0 | nM | - |
| CHEMBL532 | ERYTHROMYCIN | IC50 | > | 200000.0 | nM | - |
| CHEMBL112570 | CHOLESTEROL | IC50 | > | 200000.0 | nM | - |
| CHEMBL262086 | — | IC50 | > | 200000.0 | nM | - |
| CHEMBL409811 | — | IC50 | > | 200000.0 | nM | - |
| CHEMBL262087 | — | IC50 | > | 200000.0 | nM | - |
| CHEMBL1515 | METHIMAZOLE | IC50 | > | 200000.0 | nM | - |
| CHEMBL306226 | BENZIMIDAZOLE | IC50 | > | 200000.0 | nM | - |
| CHEMBL253363 | PREGNENOLONE | IC50 | > | 200000.0 | nM | - |
| CHEMBL103 | PROGESTERONE | IC50 | > | 200000.0 | nM | - |
| CHEMBL503 | LOVASTATIN | IC50 | > | 200000.0 | nM | - |
| CHEMBL261627 | AZACONAZOLE | IC50 | > | 10000.0 | nM | - |
| CHEMBL407132 | TRIARIMOL | IC50 | > | 10000.0 | nM | - |
| CHEMBL15594 | ARACHIDONIC ACID | IC50 | > | 200000.0 | nM | - |
| CHEMBL498 | CHLORPROPAMIDE | IC50 | > | 200000.0 | nM | - |
| CHEMBL15848 | ANANDAMIDE | IC50 | > | 200000.0 | nM | - |
| CHEMBL832 | SULFINPYRAZONE | IC50 | > | 200000.0 | nM | - |