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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Cytochrome P450 1A1 | ||
| Ligand | BDBM50503769 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1812126 (CHEMBL4311586) | ||
| IC50 | 33±n/a nM | ||
| Citation |  Kubo, M; Yamamoto, K; Itoh, T Design and synthesis of selective CYP1B1 inhibitor via dearomatization of ?-naphthoflavone. Bioorg Med Chem27:285-304 (2019) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Cytochrome P450 1A1 | |||
| Name: | Cytochrome P450 1A1 | ||
| Synonyms: | CP1A1_HUMAN | CYP1A1 | CYPIA1 | Cytochrome P450 1A | Cytochrome P450 1A1 | Cytochrome P450 1A1 (CYP1A1) | P450 form 6 | P450-C | P450-P1 | ||
| Type: | Protein | ||
| Mol. Mass.: | 58177.23 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P04798 | ||
| Residue: | 512 | ||
| Sequence: |
| ||
| BDBM50503769 | |||
| n/a | |||
| Name | BDBM50503769 | ||
| Synonyms: | CHEMBL4541853 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C22H20O2 | ||
| Mol. Mass. | 316.393 | ||
| SMILES | C=C=C[C@H]1CC[C@H](CC1)c1cc(=O)c2ccc3ccccc3c2o1 |r,wU:6.9,3.2,(58.87,-5.43,;57.55,-4.66,;56.22,-3.88,;54.88,-4.64,;54.87,-6.18,;53.53,-6.93,;52.21,-6.16,;52.21,-4.62,;53.55,-3.86,;50.88,-6.92,;50.87,-8.47,;49.53,-9.24,;49.53,-10.78,;48.2,-8.46,;46.87,-9.24,;45.53,-8.47,;45.53,-6.92,;44.21,-6.17,;44.2,-4.64,;45.53,-3.86,;46.86,-4.62,;46.86,-6.15,;48.2,-6.92,;49.53,-6.14,)| | ||
| Structure | 
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