Reaction Details |
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Target | Estrogen receptor |
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Ligand | BDBM50215049 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_447657 (CHEMBL896664) |
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Ki | 7900±n/a nM |
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Citation | Zhou, HB; Collins, ML; Gunther, JR; Comninos, JS; Katzenellenbogen, JA Bicyclo[2.2.2]octanes: close structural mimics of the nuclear receptor-binding motif of steroid receptor coactivators. Bioorg Med Chem Lett17:4118-22 (2007) [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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BDBM50215049 |
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n/a |
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Name | BDBM50215049 |
Synonyms: | CHEMBL391046 | dimethyl 2-((2-methyl-5-(2-methyl-4-(4-methylpentanamido)butan-2-yl)bicyclo[2.2.2]oct-7-en-2-yl)methylene)malonate |
Type | Small organic molecule |
Emp. Form. | C26H41NO5 |
Mol. Mass. | 447.6074 |
SMILES | [#6]-[#8]-[#6](=O)-[#6](=[#6]\C1([#6])[#6]-[#6]-2-[#6]=[#6]-[#6]1-[#6]-[#6]-2C([#6])([#6])[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6](-[#6])-[#6])\[#6](=O)-[#8]-[#6] |w:9.9,6.6,14.16,12.13,c:10,TLB:5:6:13.14:11.10,TEB:15:14:6.8:11.10,7:6:13.14:11.10| |
Structure |
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