Reaction Details |
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Target | Aromatase |
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Ligand | BDBM50345190 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_751246 (CHEMBL1787614) |
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IC50 | 534±n/a nM |
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Citation | Yahiaoui, S; Pouget, C; Buxeraud, J; Chulia, AJ; Fagnère, C Lead optimization of 4-imidazolylflavans: new promising aromatase inhibitors. Eur J Med Chem46:2541-5 (2011) [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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BDBM50345190 |
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n/a |
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Name | BDBM50345190 |
Synonyms: | 2,4-cis-7,8-benzo-4'-cyano-4-imidazolylflavan | 2,4-trans-7,8-benzo-4'-cyano-4-imidazolylflavan | 7,8-Benzo-4'-cyano-4-imidazolylflavan | CHEMBL1783178 |
Type | Small organic molecule |
Emp. Form. | C23H17N3O |
Mol. Mass. | 351.4006 |
SMILES | N#Cc1ccc(cc1)C1CC(c2ccc3ccccc3c2O1)n1ccnc1 |
Structure |
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