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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Cytochrome P450 1B1 | ||
| Ligand | BDBM50503772 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1812125 (CHEMBL4311585) | ||
| IC50 | 13±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 1B1 | |||
| Name: | Cytochrome P450 1B1 | ||
| Synonyms: | CP1B1_HUMAN | CYP1B1 | CYPIB1 | Cytochrome P450 1B1 (CYP1B1) | ||
| Type: | PROTEIN | ||
| Mol. Mass.: | 60861.81 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | ChEMBL_1474523 | ||
| Residue: | 543 | ||
| Sequence: |
| ||
| BDBM50503772 | |||
| n/a | |||
| Name | BDBM50503772 | ||
| Synonyms: | CHEMBL4579760 | ||
| 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,wD:3.2,(59.29,-14.71,;57.96,-13.94,;56.63,-13.16,;55.29,-13.92,;53.96,-13.14,;52.62,-13.9,;52.62,-15.44,;53.95,-16.22,;55.28,-15.46,;51.29,-16.2,;51.29,-17.75,;49.94,-18.52,;49.94,-20.06,;48.61,-17.75,;47.28,-18.52,;45.94,-17.75,;45.94,-16.21,;44.62,-15.45,;44.61,-13.92,;45.94,-13.14,;47.27,-13.9,;47.27,-15.44,;48.61,-16.2,;49.95,-15.42,)| | ||
| Structure | 
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