Assay Detail
Binding
CHEMBL4257972
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Inhibition of human recombinant CYP1A1 expressed in HEK293 cells using 7-ethoxyresorufin substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins by fluorescence assay relative to control
22
Total Activities
11
Compounds Tested
2
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Homo sapiens |
| Cell Type | HEK293 |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Publication
Identification of karanjin isolated from the Indian beech tree as a potent CYP1 enzyme inhibitor with cellular efficacy <i>via</i> screening of a natural product repository.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 11 | 6.09 | 7.70 |
| Ki | 11 | 6.14 | 7.92 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL140796 | ISOPIMPINELLIN | — | 2 | 7.92 |
| CHEMBL4282750 | — | — | 2 | 7.72 |
| CHEMBL24171 | BERGAPTEN | 3.0 | 2 | 7.22 |
| CHEMBL452751 | PHELLOPTERIN | — | 2 | 6.24 |
| CHEMBL226508 | — | — | 2 | 5.86 |
| CHEMBL4285296 | — | — | 2 | 5.71 |
| CHEMBL295316 | PLUMBAGIN | 1.0 | 2 | 5.59 |
| CHEMBL4294195 | — | — | 2 | 5.52 |
| CHEMBL274056 | NAPHTHAZALIN | — | 2 | 5.44 |
| CHEMBL44746 | KHELLIN | 2.0 | 2 | 5.42 |
| CHEMBL44541 | MERIDIANIN C | — | 2 | 5.04 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL140796 | ISOPIMPINELLIN | Ki | = | 12.0 | nM | 7.92 |
| CHEMBL4282750 | — | Ki | = | 19.0 | nM | 7.72 |
| CHEMBL140796 | ISOPIMPINELLIN | IC50 | = | 20.0 | nM | 7.70 |
| CHEMBL4282750 | — | IC50 | = | 30.0 | nM | 7.52 |
| CHEMBL24171 | BERGAPTEN | Ki | = | 60.0 | nM | 7.22 |
| CHEMBL24171 | BERGAPTEN | IC50 | = | 80.0 | nM | 7.10 |
| CHEMBL452751 | PHELLOPTERIN | IC50 | = | 580.0 | nM | 6.24 |
| CHEMBL452751 | PHELLOPTERIN | Ki | = | 620.0 | nM | 6.21 |
| CHEMBL226508 | — | IC50 | = | 1380.0 | nM | 5.86 |
| CHEMBL226508 | — | Ki | = | 1420.0 | nM | 5.85 |
| CHEMBL4285296 | — | Ki | = | 1960.0 | nM | 5.71 |
| CHEMBL4285296 | — | IC50 | = | 2230.0 | nM | 5.65 |
| CHEMBL295316 | PLUMBAGIN | Ki | = | 2560.0 | nM | 5.59 |
| CHEMBL295316 | PLUMBAGIN | IC50 | = | 2770.0 | nM | 5.56 |
| CHEMBL4294195 | — | IC50 | = | 3030.0 | nM | 5.52 |
| CHEMBL4294195 | — | Ki | = | 3250.0 | nM | 5.49 |
| CHEMBL274056 | NAPHTHAZALIN | Ki | = | 3660.0 | nM | 5.44 |
| CHEMBL44746 | KHELLIN | Ki | = | 3800.0 | nM | 5.42 |
| CHEMBL274056 | NAPHTHAZALIN | IC50 | = | 3820.0 | nM | 5.42 |
| CHEMBL44746 | KHELLIN | IC50 | = | 4020.0 | nM | 5.40 |
| CHEMBL44541 | MERIDIANIN C | IC50 | = | 9230.0 | nM | 5.04 |
| CHEMBL44541 | MERIDIANIN C | Ki | = | 9480.0 | nM | 5.02 |