| Reaction Details |
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 | Report a problem with these data |
| Target | Aromatase |
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| Ligand | BDBM50174542 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_321036 (CHEMBL883668) |
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| Ki | 660±n/a nM |
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| Citation |  Cepa, MM; Tavares da Silva, EJ; Correia-da-Silva, G; Roleira, FM; Teixeira, NA Structure-activity relationships of new A,D-ring modified steroids as aromatase inhibitors: design, synthesis, and biological activity evaluation. J Med Chem48:6379-85 (2005) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Aromatase |
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| Name: | Aromatase |
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| 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 |
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| Type: | Enzyme |
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| Mol. Mass.: | 57888.92 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P11511 |
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| Residue: | 503 |
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| Sequence: | MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLI
SHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKL
GLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTN
ESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWL
YKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCI
LEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFI
YESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAK
NVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLH
PDETKNMLEMIFTPRNSDRCLEH
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| BDBM50174542 |
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| n/a |
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| Name | BDBM50174542 |
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| Synonyms: | (10aR,12aS)-7-Hydroxy-10a,12a-dimethyl-3,4,4a,5,6,9,10,10a,10b,11,12,12a-dodecahydro-4bH-1-oxa-chrysene-2,8-dione | CHEMBL197451 |
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| Type | Small organic molecule |
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| Emp. Form. | C19H26O4 |
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| Mol. Mass. | 318.4073 |
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| SMILES | C[C@]12CCC3C(CCC4C(=O)C(=O)CC[C@]34C)C1CCC(=O)O2 |
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| Structure | 
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