Reaction Details |
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Target | Estrogen receptor |
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Ligand | BDBM20594 |
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Substrate/Competitor | 17beta-estradiol (E2) |
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Meas. Tech. | ER-alpha Radioligand Binding Assay and ERE-Luciferase Reporter Assay. |
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pH | 7.4±n/a |
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Temperature | 295.15±n/a K |
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IC50 | 27±3 nM |
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EC50 | 3.3±0.3 nM |
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Comments | Antagonist activity in MCF-7 assay, IC50= 6.2 +/- 4.8 nM; in the absence of 17beta-estradiol in the MCF-7 proliferation assay, compound displayed 10 +/- 1 % agonistic effect. |
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Citation | Renaud, J; Bischoff, SF; Buhl, T; Floersheim, P; Fournier, B; Halleux, C; Kallen, J; Keller, H; Schlaeppi, JM; Stark, W Estrogen receptor modulators: identification and structure-activity relationships of potent ERalpha-selective tetrahydroisoquinoline ligands. J Med Chem46:2945-57 (2003) [PubMed] Article |
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More Info.: | Get all data from this article, Solution Info, 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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BDBM20594 |
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17beta-estradiol (E2) |
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Name | BDBM20594 |
Synonyms: | 2-(4-chlorophenyl)-1-methyl-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-1,2,3,4-tetrahydroisoquinolin-6-ol | tetrahydroisoquinoline derivative, 19d |
Type | Small organic molecule |
Emp. Form. | C28H31ClN2O2 |
Mol. Mass. | 463.011 |
SMILES | CC1(N(CCc2cc(O)ccc12)c1ccc(Cl)cc1)c1ccc(OCCN2CCCC2)cc1 |
Structure |
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