Reaction Details | |||
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Target | Cytochrome P450 1A1 | ||
Ligand | BDBM50503772 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1812126 (CHEMBL4311586) | ||
IC50 | 14±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: |
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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 |