| Reaction Details |
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 | Report a problem with these data |
| Target | Aromatase |
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| Ligand | BDBM50014449 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_50694 (CHEMBL663239) |
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| IC50 | 96.0±n/a nM |
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| Citation |  McCague, R; Rowlands, MG; Barrie, SE; Houghton, J Inhibition of enzymes of estrogen and androgen biosynthesis by esters of 4-pyridylacetic acid. J Med Chem33:3050-5 (1990) [PubMed] |
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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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| BDBM50014449 |
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| n/a |
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| Name | BDBM50014449 |
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| Synonyms: | (1R,2R,3R,5S)-(-)-Pyridin-4-yl-acetic acid 2,6,6-trimethyl-bicyclo[3.1.1]hept-3-yl ester | (1S,2S,3S,5R)-(-)-Pyridin-4-yl-acetic acid 2,6,6-trimethyl-bicyclo[3.1.1]hept-3-yl ester | CHEMBL319026 |
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| Type | Small organic molecule |
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| Emp. Form. | C17H23NO2 |
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| Mol. Mass. | 273.37 |
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| SMILES | CC1C2CC(CC1OC(=O)Cc1ccncc1)C2(C)C |TLB:7:6:17:3,THB:0:1:17:3| |
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| Structure | 
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