| Reaction Details |
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 | Report a problem with these data |
| Target | Estrogen receptor |
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| Ligand | BDBM50574416 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2122405 (CHEMBL4831638) |
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| IC50 | 269±n/a nM |
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| Citation |  Disch, JS; Duffy, JM; Lee, ECY; Gikunju, D; Chan, B; Levin, B; Monteiro, MI; Talcott, SA; Lau, AC; Zhou, F; Kozhushnyan, A; Westlund, NE; Mullins, PB; Yu, Y; von Rechenberg, M; Zhang, J; Arnautova, YA; Liu, Y; Zhang, Y; McRiner, AJ; Keefe, AD; Kohlmann, A; Clark, MA; Cuozzo, JW; Huguet, C; Arora, S Bispecific Estrogen Receptor ? Degraders Incorporating Novel Binders Identified Using DNA-Encoded Chemical Library Screening. J Med Chem64:5049-5066 (2021) [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 |
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| 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 |
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| Type: | Protein |
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| Mol. Mass.: | 66230.44 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P03372 |
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| Residue: | 595 |
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| Sequence: | MTMTLHTKASGMALLHQIQGNELEPLNRPQLKIPLERPLGEVYLDSSKPAVYNYPEGAAY
EFNAAAAANAQVYGQTGLPYGPGSEAAAFGSNGLGGFPPLNSVSPSPLMLLHPPPQLSPF
LQPHGQQVPYYLENEPSGYTVREAGPPAFYRPNSDNRRQGGRERLASTNDKGSMAMESAK
ETRYCAVCNDYASGYHYGVWSCEGCKAFFKRSIQGHNDYMCPATNQCTIDKNRRKSCQAC
RLRKCYEVGMMKGGIRKDRRGGRMLKHKRQRDDGEGRGEVGSAGDMRAANLWPSPLMIKR
SKKNSLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMINW
AKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKCVEG
MVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHIHRVLD
KITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPLYDLL
LEMLDAHRLHAPTSRGGASVEETDQSHLATAGSTSSHSLQKYYITGEAEGFPATV
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| BDBM50574416 |
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| n/a |
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| Name | BDBM50574416 |
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| Synonyms: | CHEMBL4877124 |
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| Type | Small organic molecule |
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| Emp. Form. | C55H64ClFN8O7S |
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| Mol. Mass. | 1035.662 |
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| SMILES | C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](NC(=O)COCc1cn(CCOc2ccc(cc2)N(Cc2cccc(O)c2Cl)CC2(CCCC2)c2ccccc2F)nn1)C(C)(C)C)c1ccc(cc1)-c1scnc1C |r| |
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| Structure | 
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