Assay Detail
ADMET
CHEMBL4257973
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Inhibition of human recombinant CYP1A2 expressed in HEK293 cells using 3-cyano-7-ethoxycoumarin 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 | ADMET |
| 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 | 6.29 | 8.00 |
| Ki | 11 | 6.35 | 8.22 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL4282750 | — | — | 2 | 8.22 |
| CHEMBL140796 | ISOPIMPINELLIN | — | 2 | 7.55 |
| CHEMBL44746 | KHELLIN | 2.0 | 2 | 7.51 |
| CHEMBL24171 | BERGAPTEN | 3.0 | 2 | 7.22 |
| CHEMBL452751 | PHELLOPTERIN | — | 2 | 6.42 |
| CHEMBL226508 | — | — | 2 | 6.11 |
| CHEMBL274056 | NAPHTHAZALIN | — | 2 | 5.67 |
| CHEMBL295316 | PLUMBAGIN | 1.0 | 2 | 5.63 |
| CHEMBL4285296 | — | — | 2 | 5.50 |
| CHEMBL44541 | MERIDIANIN C | — | 2 | 5.06 |
| CHEMBL4294195 | — | — | 2 | 5.05 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL4282750 | — | Ki | = | 6.0 | nM | 8.22 |
| CHEMBL4282750 | — | IC50 | = | 10.0 | nM | 8.00 |
| CHEMBL140796 | ISOPIMPINELLIN | Ki | = | 28.0 | nM | 7.55 |
| CHEMBL44746 | KHELLIN | Ki | = | 31.0 | nM | 7.51 |
| CHEMBL140796 | ISOPIMPINELLIN | IC50 | = | 40.0 | nM | 7.40 |
| CHEMBL44746 | KHELLIN | IC50 | = | 40.0 | nM | 7.40 |
| CHEMBL24171 | BERGAPTEN | Ki | = | 60.0 | nM | 7.22 |
| CHEMBL24171 | BERGAPTEN | IC50 | = | 90.0 | nM | 7.05 |
| CHEMBL452751 | PHELLOPTERIN | Ki | = | 380.0 | nM | 6.42 |
| CHEMBL452751 | PHELLOPTERIN | IC50 | = | 420.0 | nM | 6.38 |
| CHEMBL226508 | — | Ki | = | 780.0 | nM | 6.11 |
| CHEMBL226508 | — | IC50 | = | 900.0 | nM | 6.05 |
| CHEMBL274056 | NAPHTHAZALIN | IC50 | = | 2160.0 | nM | 5.67 |
| CHEMBL274056 | NAPHTHAZALIN | Ki | = | 2220.0 | nM | 5.65 |
| CHEMBL295316 | PLUMBAGIN | Ki | = | 2360.0 | nM | 5.63 |
| CHEMBL295316 | PLUMBAGIN | IC50 | = | 2460.0 | nM | 5.61 |
| CHEMBL4285296 | — | IC50 | = | 3160.0 | nM | 5.50 |
| CHEMBL4285296 | — | Ki | = | 3860.0 | nM | 5.41 |
| CHEMBL44541 | MERIDIANIN C | Ki | = | 8780.0 | nM | 5.06 |
| CHEMBL44541 | MERIDIANIN C | IC50 | = | 8720.0 | nM | 5.06 |
| CHEMBL4294195 | — | IC50 | = | 8930.0 | nM | 5.05 |
| CHEMBL4294195 | — | Ki | = | 9160.0 | nM | 5.04 |