Reaction Details |
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Target | Estrogen receptor |
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Ligand | BDBM50145487 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEBML_67484 |
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IC50 | 8.8±n/a nM |
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Citation | Chen, HY; Kim, S; Wu, JY; Birzin, ET; Chan, W; Yang, YT; Dahllund, J; DiNinno, F; Rohrer, SP; Schaeffer, JM; Hammond, ML Estrogen receptor ligands. Part 3: The SAR of dihydrobenzoxathiin SERMs. Bioorg Med Chem Lett14:2551-4 (2004) [PubMed] Article |
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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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BDBM50145487 |
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n/a |
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Name | BDBM50145487 |
Synonyms: | (2S,3S)-2-[4-(2-Piperidin-1-yl-ethoxy)-phenyl]-3-thiophen-2-yl-2,3-dihydro-benzo[1,4]oxathiin-6-ol | CHEMBL83623 |
Type | Small organic molecule |
Emp. Form. | C25H27NO3S2 |
Mol. Mass. | 453.617 |
SMILES | Oc1ccc2O[C@H]([C@H](Sc2c1)c1cccs1)c1ccc(OCCN2CCCCC2)cc1 |
Structure |
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