Reaction Details |
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Target | Aromatase |
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Ligand | BDBM50332805 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_829838 (CHEMBL2061396) |
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Ki | 38±n/a nM |
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Citation | Varela, C; Tavares da Silva, EJ; Amaral, C; Correia da Silva, G; Baptista, T; Alcaro, S; Costa, G; Carvalho, RA; Teixeira, NA; Roleira, FM New structure-activity relationships of A- and D-ring modified steroidal aromatase inhibitors: design, synthesis, and biochemical evaluation. J Med Chem55:3992-4002 (2012) [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 |
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: | MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLI
SHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKL
GLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTN
ESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWL
YKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCI
LEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFI
YESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAK
NVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLH
PDETKNMLEMIFTPRNSDRCLEH
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BDBM50332805 |
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n/a |
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Name | BDBM50332805 |
Synonyms: | (3R,4S,5R,8R,9S,10R,13S,14S)-10,13-Dimethyl-hexadecahydro-20-oxa-cyclopropa[3,4]cyclopenta[alpha]phenanthren-17-one | CHEMBL1629802 |
Type | Small organic molecule |
Emp. Form. | C19H28O2 |
Mol. Mass. | 288.4244 |
SMILES | C[C@]12CC[C@H]3[C@@H](CC[C@H]4[C@@H]5O[C@@H]5CC[C@]34C)[C@@H]1CCC2=O |r| |
Structure |
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