Assay Detail
ADMET
CHEMBL5325805
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Inhibition of CYP1B1 (unknown origin) expressed in HEK293-T-REx cells co-expressing POR incubated for 1 hr by resorufin dye based plate reader analysis
23
Total Activities
23
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | ADMET |
| Organism | Homo sapiens |
| Cell Type | HEK293-T-REx |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Publication
Design of Cytochrome P450 1B1 Inhibitors <i>via</i> a Scaffold-Hopping Approach.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 23 | 7.83 | 10.37 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL3421639 | — | — | 1 | 10.37 |
| CHEMBL5394220 | — | — | 1 | 9.70 |
| CHEMBL5403545 | — | — | 1 | 9.51 |
| CHEMBL5412548 | — | — | 1 | 9.00 |
| CHEMBL5406710 | — | — | 1 | 8.30 |
| CHEMBL5405212 | — | — | 1 | 8.30 |
| CHEMBL5401046 | — | — | 1 | 8.22 |
| CHEMBL5418617 | — | — | 1 | 7.72 |
| CHEMBL5425709 | — | — | 1 | 7.60 |
| CHEMBL5395150 | — | — | 1 | 7.42 |
| CHEMBL5406117 | — | — | 1 | 7.27 |
| CHEMBL46909 | — | — | 1 | 7.18 |
| CHEMBL5438759 | — | — | 1 | 7.00 |
| CHEMBL283196 | ALPHA-NAPHTHOFLAVONE | — | 1 | 6.85 |
| CHEMBL4218514 | — | — | 1 | 6.43 |
| CHEMBL5406218 | — | — | 1 | 6.22 |
| CHEMBL380753 | — | — | 1 | 5.99 |
| CHEMBL5429178 | — | — | 1 | - |
| CHEMBL5396198 | — | — | 1 | - |
| CHEMBL5426573 | — | — | 1 | - |
| CHEMBL5406721 | — | — | 1 | - |
| CHEMBL5401832 | — | — | 1 | - |
| CHEMBL5406156 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL3421639 | — | IC50 | = | 0.043 | nM | 10.37 |
| CHEMBL5394220 | — | IC50 | = | 0.2 | nM | 9.70 |
| CHEMBL5403545 | — | IC50 | = | 0.31 | nM | 9.51 |
| CHEMBL5412548 | — | IC50 | = | 1.0 | nM | 9.00 |
| CHEMBL5406710 | — | IC50 | = | 5.0 | nM | 8.30 |
| CHEMBL5405212 | — | IC50 | = | 5.0 | nM | 8.30 |
| CHEMBL5401046 | — | IC50 | = | 6.0 | nM | 8.22 |
| CHEMBL5418617 | — | IC50 | = | 19.0 | nM | 7.72 |
| CHEMBL5425709 | — | IC50 | = | 25.0 | nM | 7.60 |
| CHEMBL5395150 | — | IC50 | = | 38.0 | nM | 7.42 |
| CHEMBL5406117 | — | IC50 | = | 54.0 | nM | 7.27 |
| CHEMBL46909 | — | IC50 | = | 66.0 | nM | 7.18 |
| CHEMBL5438759 | — | IC50 | = | 100.0 | nM | 7.00 |
| CHEMBL283196 | ALPHA-NAPHTHOFLAVONE | IC50 | = | 140.0 | nM | 6.85 |
| CHEMBL4218514 | — | IC50 | = | 370.0 | nM | 6.43 |
| CHEMBL5406218 | — | IC50 | = | 600.0 | nM | 6.22 |
| CHEMBL380753 | — | IC50 | = | 1020.0 | nM | 5.99 |
| CHEMBL5429178 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL5396198 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL5426573 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL5406721 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL5401832 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL5406156 | — | IC50 | > | 10000.0 | nM | - |