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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Aromatase | ||
| Ligand | BDBM50582053 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2152974 (CHEMBL5037521) | ||
| IC50 | 63±n/a nM | ||
| Citation |  Caciolla, J; Martini, S; Spinello, A; Pavlin, M; Turrini, E; Simonelli, F; Belluti, F; Rampa, A; Bisi, A; Fimognari, C; Zaffaroni, N; Gobbi, S; Magistrato, A Balanced dual acting compounds targeting aromatase and estrogen receptor ? as an emerging therapeutic opportunity to counteract estrogen responsive breast cancer. Eur J Med Chem224:0 (2021) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Aromatase | |||
| Name: | Aromatase | ||
| Synonyms: | ARO1 | Aromatase | CP19A_HUMAN | CYAR | CYP19 | CYP19A1 | CYPXIX | Cytochrome P-450AROM | Cytochrome P450 19A1 | Cytochrome P450 2C19 | Cytochrome P450-C19 (CYP19) | Estrogen synthetase | FL cytokine receptor precursor | P-450AROM | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 57888.92 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P11511 | ||
| Residue: | 503 | ||
| Sequence: |
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| BDBM50582053 | |||
| n/a | |||
| Name | BDBM50582053 | ||
| Synonyms: | CHEMBL5081446 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C20H20N2O2 | ||
| Mol. Mass. | 320.385 | ||
| SMILES | CC(CCc1c[nH]cn1)=C(c1ccc(O)cc1)c1ccc(O)cc1 |(63.34,-40.18,;62,-39.41,;60.67,-40.18,;60.67,-41.72,;59.34,-42.5,;57.93,-41.88,;56.91,-43.02,;57.68,-44.36,;59.18,-44.03,;62,-37.87,;60.67,-37.1,;59.33,-37.88,;57.99,-37.1,;58,-35.56,;56.66,-34.79,;59.32,-34.79,;60.66,-35.55,;63.33,-37.1,;64.66,-37.87,;65.99,-37.1,;65.99,-35.56,;67.32,-34.78,;64.65,-34.79,;63.32,-35.56,)| | ||
| Structure | 
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