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TargetEstrogen receptor
LigandBDBM19455
Substrate/Competitor17beta-estradiol (E2)
Meas. Tech.Estrogen Receptor Binding and Transcription Activation Assay
pH7.5±n/a
Temperature273.15±n/a K
Ki 7±n/a nM
EC50 90±n/a nM
CommentsRBA=2.8 +/- 0.44 %. EC50/IC50 was measured from the antagonist profile.
Citation Zhou, HBSheng, SCompton, DRKim, YJoachimiak, ASharma, SCarlson, KEKatzenellenbogen, BSNettles, KWGreene, GLKatzenellenbogen, JA Structure-guided optimization of estrogen receptor binding affinity and antagonist potency of pyrazolopyrimidines with basic side chains. J Med Chem50:399-403 (2007) [PubMed]  Article
More Info.:Get all data from this article,  Inhibition_Run data,   Solution Info,  Assay Method
 
Estrogen receptor
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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BDBM19455
17beta-estradiol (E2)
NameBDBM19455
Synonyms:4-(3-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl)phenol | Pyrazolo[1,5-a]pyrimidine, 12a
TypeSmall organic molecule
Emp. Form.C27H24F6N4O2
Mol. Mass.550.4955
SMILESOc1ccc(cc1)-c1nn2c(cc(nc2c1-c1ccc(OCCN2CCCCC2)cc1)C(F)(F)F)C(F)(F)F
Structure
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