Reaction Details |
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Target | Aromatase |
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Ligand | BDBM50213247 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_436856 (CHEMBL905158) |
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IC50 | >310170±n/a nM |
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Citation | Maiti, A; Cuendet, M; Croy, VL; Endringer, DC; Pezzuto, JM; Cushman, M Synthesis and biological evaluation of (+/-)-abyssinone II and its analogues as aromatase inhibitors for chemoprevention of breast cancer. J Med Chem50:2799-806 (2007) [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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BDBM50213247 |
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n/a |
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Name | BDBM50213247 |
Synonyms: | 1-(2-hydroxyphenyl)-3-[4-methoxy-3-(3-methylbut-2-enyl)-phenyl]prop-2-en-1-one | CHEMBL388375 |
Type | Small organic molecule |
Emp. Form. | C21H24O3 |
Mol. Mass. | 324.4135 |
SMILES | [#6]-[#8]-c1ccc(\[#6]=[#6]\[#6](-[#8])-c2ccccc2-[#8])cc1-[#6]\[#6]=[#6](\[#6])-[#6] |w:8.8| |
Structure |
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