Reaction Details |
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Target | Aromatase |
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Ligand | BDBM50318408 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_630232 (CHEMBL1105634) |
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IC50 | 200±n/a nM |
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Citation | Muftuoglu, Y; Mustata, G Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19). Bioorg Med Chem Lett20:3050-64 (2010) [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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BDBM50318408 |
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n/a |
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Name | BDBM50318408 |
Synonyms: | 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(4-methylpent-2-enyl)chroman-4-one | CHEMBL1098426 |
Type | Small organic molecule |
Emp. Form. | C21H22O5 |
Mol. Mass. | 354.3964 |
SMILES | CC(C)\C=C\Cc1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)cc1 |
Structure |
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