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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Cytochrome P450 1B1 | ||
| Ligand | BDBM50503767 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1812125 (CHEMBL4311585) | ||
| IC50 | 29±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: |
| ||
| BDBM50503767 | |||
| n/a | |||
| Name | BDBM50503767 | ||
| Synonyms: | CHEMBL4547387 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C21H20O3S | ||
| Mol. Mass. | 352.447 | ||
| SMILES | CC(=O)S[C@H]1CC[C@@H](CC1)c1cc(=O)c2ccc3ccccc3c2o1 |r,wU:7.10,wD:4.3,(20.04,-15.07,;18.7,-15.83,;18.69,-17.37,;17.37,-15.05,;16.03,-15.81,;14.7,-15.03,;13.36,-15.79,;13.36,-17.33,;14.68,-18.11,;16.01,-17.35,;12.02,-18.1,;12.02,-19.64,;10.68,-20.41,;10.67,-21.95,;9.34,-19.64,;8.01,-20.42,;6.68,-19.64,;6.68,-18.1,;5.35,-17.34,;5.34,-15.81,;6.67,-15.03,;8,-15.8,;8.01,-17.33,;9.35,-18.09,;10.68,-17.32,)| | ||
| Structure | 
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