Reaction Details |
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Target | Estrogen receptor |
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Ligand | BDBM50099587 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_99805 (CHEMBL710408) |
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IC50 | 1.5±n/a nM |
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Citation | Miller, CP; Collini, MD; Tran, BD; Harris, HA; Kharode, YP; Marzolf, JT; Moran, RA; Henderson, RA; Bender, RH; Unwalla, RJ; Greenberger, LM; Yardley, JP; Abou-Gharbia, MA; Lyttle, CR; Komm, BS Design, synthesis, and preclinical characterization of novel, highly selective indole estrogens. J Med Chem44:1654-7 (2001) [PubMed] |
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More Info.: | Get all data from this article, Assay Method |
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Estrogen receptor |
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Name: | Estrogen receptor |
Synonyms: | ER | ER-alpha | ESR | ESR1 | ESR1_HUMAN | Estradiol receptor | Estrogen receptor | Estrogen receptor (ER alpha) | Estrogen receptor (ER-alpha) | Estrogen receptor alpha (ER alpha) | Estrogen receptor alpha (ER) | NR3A1 | Nuclear receptor subfamily 3 group A member 1 |
Type: | Protein |
Mol. Mass.: | 66230.44 |
Organism: | Homo sapiens (Human) |
Description: | P03372 |
Residue: | 595 |
Sequence: | MTMTLHTKASGMALLHQIQGNELEPLNRPQLKIPLERPLGEVYLDSSKPAVYNYPEGAAY
EFNAAAAANAQVYGQTGLPYGPGSEAAAFGSNGLGGFPPLNSVSPSPLMLLHPPPQLSPF
LQPHGQQVPYYLENEPSGYTVREAGPPAFYRPNSDNRRQGGRERLASTNDKGSMAMESAK
ETRYCAVCNDYASGYHYGVWSCEGCKAFFKRSIQGHNDYMCPATNQCTIDKNRRKSCQAC
RLRKCYEVGMMKGGIRKDRRGGRMLKHKRQRDDGEGRGEVGSAGDMRAANLWPSPLMIKR
SKKNSLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMINW
AKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKCVEG
MVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHIHRVLD
KITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPLYDLL
LEMLDAHRLHAPTSRGGASVEETDQSHLATAGSTSSHSLQKYYITGEAEGFPATV
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BDBM50099587 |
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n/a |
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Name | BDBM50099587 |
Synonyms: | 2-(4-Hydroxy-phenyl)-3-methyl-1-[4-(2-piperidin-1-yl-ethoxy)-benzyl]-1H-indol-5-ol | CHEMBL44426 | Pipendoxifene | US8815934, No. 107 | US8815934, No. 97 |
Type | Small organic molecule |
Emp. Form. | C29H32N2O3 |
Mol. Mass. | 456.576 |
SMILES | Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc12 |
Structure |
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