Assay Detail
Binding
CHEMBL4380057
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Inhibition of human recombinant CYP1B1 using 7-ethoxyresorufin as substrate in presence of glucose-6-phosphate, glucose-6-phosphate dehydrogenase and NADPH-generating system incubated for 35 mins by fluorometry
42
Total Activities
42
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
Synthesis and structure-activity relationship studies of α-naphthoflavone derivatives as CYP1B1 inhibitors.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 42 | 8.01 | 9.31 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL368236 | — | — | 1 | 9.31 |
| CHEMBL4064195 | — | — | 1 | 9.28 |
| CHEMBL4474545 | — | — | 1 | 8.80 |
| CHEMBL4532886 | — | — | 1 | 8.70 |
| CHEMBL436080 | — | — | 1 | 8.66 |
| CHEMBL359819 | — | — | 1 | 8.57 |
| CHEMBL4434863 | — | — | 1 | 8.49 |
| CHEMBL4541619 | — | — | 1 | 8.49 |
| CHEMBL361608 | — | — | 1 | 8.48 |
| CHEMBL4466261 | — | — | 1 | 8.46 |
| CHEMBL3230194 | — | — | 1 | 8.42 |
| CHEMBL4558857 | — | — | 1 | 8.39 |
| CHEMBL4545007 | — | — | 1 | 8.38 |
| CHEMBL425868 | — | — | 1 | 8.38 |
| CHEMBL4556419 | — | — | 1 | 8.30 |
| CHEMBL4457289 | — | — | 1 | 8.29 |
| CHEMBL4062213 | — | — | 1 | 8.25 |
| CHEMBL283196 | ALPHA-NAPHTHOFLAVONE | — | 1 | 8.23 |
| CHEMBL177938 | — | — | 1 | 8.21 |
| CHEMBL2420082 | — | — | 1 | 8.14 |
| CHEMBL4461997 | — | — | 1 | 8.11 |
| CHEMBL4466582 | — | — | 1 | 8.10 |
| CHEMBL4551672 | — | — | 1 | 8.04 |
| CHEMBL177991 | — | — | 1 | 8.03 |
| CHEMBL4553927 | — | — | 1 | 8.03 |
| CHEMBL4458757 | — | — | 1 | 7.98 |
| CHEMBL4562047 | — | — | 1 | 7.97 |
| CHEMBL4465703 | — | — | 1 | 7.88 |
| CHEMBL1801014 | — | — | 1 | 7.83 |
| CHEMBL4483482 | — | — | 1 | 7.73 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL368236 | — | IC50 | = | 0.49 | nM | 9.31 |
| CHEMBL4064195 | — | IC50 | = | 0.52 | nM | 9.28 |
| CHEMBL4474545 | — | IC50 | = | 1.6 | nM | 8.80 |
| CHEMBL4532886 | — | IC50 | = | 2.0 | nM | 8.70 |
| CHEMBL436080 | — | IC50 | = | 2.2 | nM | 8.66 |
| CHEMBL359819 | — | IC50 | = | 2.7 | nM | 8.57 |
| CHEMBL4434863 | — | IC50 | = | 3.2 | nM | 8.49 |
| CHEMBL4541619 | — | IC50 | = | 3.2 | nM | 8.49 |
| CHEMBL361608 | — | IC50 | = | 3.3 | nM | 8.48 |
| CHEMBL4466261 | — | IC50 | = | 3.5 | nM | 8.46 |
| CHEMBL3230194 | — | IC50 | = | 3.8 | nM | 8.42 |
| CHEMBL4558857 | — | IC50 | = | 4.1 | nM | 8.39 |
| CHEMBL4545007 | — | IC50 | = | 4.2 | nM | 8.38 |
| CHEMBL425868 | — | IC50 | = | 4.2 | nM | 8.38 |
| CHEMBL4556419 | — | IC50 | = | 5.0 | nM | 8.30 |
| CHEMBL4457289 | — | IC50 | = | 5.1 | nM | 8.29 |
| CHEMBL4062213 | — | IC50 | = | 5.6 | nM | 8.25 |
| CHEMBL283196 | ALPHA-NAPHTHOFLAVONE | IC50 | = | 5.9 | nM | 8.23 |
| CHEMBL177938 | — | IC50 | = | 6.2 | nM | 8.21 |
| CHEMBL2420082 | — | IC50 | = | 7.3 | nM | 8.14 |
| CHEMBL4461997 | — | IC50 | = | 7.8 | nM | 8.11 |
| CHEMBL4466582 | — | IC50 | = | 8.0 | nM | 8.10 |
| CHEMBL4551672 | — | IC50 | = | 9.1 | nM | 8.04 |
| CHEMBL177991 | — | IC50 | = | 9.3 | nM | 8.03 |
| CHEMBL4553927 | — | IC50 | = | 9.4 | nM | 8.03 |
| CHEMBL4458757 | — | IC50 | = | 10.4 | nM | 7.98 |
| CHEMBL4562047 | — | IC50 | = | 10.6 | nM | 7.97 |
| CHEMBL4465703 | — | IC50 | = | 13.3 | nM | 7.88 |
| CHEMBL1801014 | — | IC50 | = | 14.8 | nM | 7.83 |
| CHEMBL4483482 | — | IC50 | = | 18.8 | nM | 7.73 |
| CHEMBL175450 | — | IC50 | = | 21.6 | nM | 7.67 |
| CHEMBL4585810 | — | IC50 | = | 24.6 | nM | 7.61 |
| CHEMBL4438763 | — | IC50 | = | 40.5 | nM | 7.39 |
| CHEMBL4518052 | — | IC50 | = | 47.7 | nM | 7.32 |
| CHEMBL3230195 | — | IC50 | = | 48.4 | nM | 7.32 |
| CHEMBL4471231 | — | IC50 | = | 51.9 | nM | 7.29 |
| CHEMBL4568026 | — | IC50 | = | 57.0 | nM | 7.24 |
| CHEMBL4470790 | — | IC50 | = | 63.8 | nM | 7.20 |
| CHEMBL4446470 | — | IC50 | = | 89.7 | nM | 7.05 |
| CHEMBL4546511 | — | IC50 | = | 103.6 | nM | 6.99 |
| CHEMBL4462604 | — | IC50 | = | 222.9 | nM | 6.65 |
| CHEMBL4471332 | — | IC50 | = | 250.4 | nM | 6.60 |