Reaction Details |
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Target | Aromatase |
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Ligand | BDBM10055 |
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Substrate/Competitor | BDBM8592 |
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Meas. Tech. | Aromatase Assay |
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pH | 7.2±n/a |
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Temperature | 310.15±n/a K |
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IC50 | >10000±n/a nM |
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Citation | Lesuisse, D; Gourvest, JF; Benslimane, O; Canu, F; Delaisi, C; Doucet, B; Hartmann, C; Lefrancois, JM; Tric, B; Mansuy, D; Philibert, D; Teutsch, G Structure-activity relationships of a new family of steroidal aromatase inhibitors. 1. Synthesis and evaluation of a series of analogs related to 19-[(methylthio)methyl]androstenedione (RU54115). J Med Chem39:757-72 (1996) [PubMed] Article |
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More Info.: | Get all data from this article, Solution Info, 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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BDBM10055 |
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BDBM8592 |
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Name | BDBM10055 |
Synonyms: | (2R,15S)-2-[2-(acetylsulfanyl)ethyl]-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1(17),6-diene-5,14-dione | 3,17-Dioxo-19-[(acetylthio)methyl]androsta-4,9(11)-diene | RU54115 Analog 13 |
Type | Small organic molecule |
Emp. Form. | C22H28O3S |
Mol. Mass. | 372.521 |
SMILES | CC(=O)SCC[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CC=C21 |r,c:11,t:26| |
Structure |
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