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Target
Estrogen receptor
Ligand
BDBM50238731
Substrate
n/a
Meas. Tech.
ChEMBL_1664056 (CHEMBL4013737)
Ki
1.3±n/a nM
Citation
 Min, J; Guillen, VS; Sharma, A; Zhao, Y; Ziegler, Y; Gong, P; Mayne, CG; Srinivasan, S; Kim, SH; Carlson, KE; Nettles, KW; Katzenellenbogen, BS; Katzenellenbogen, JA Adamantyl Antiestrogens with Novel Side Chains Reveal a Spectrum of Activities in Suppressing Estrogen Receptor Mediated Activities in Breast Cancer Cells. J Med Chem 60:6321-6336 (2017) [PubMed]  Article
Target
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:
MTMTLHTKASGMALLHQIQGNELEPLNRPQLKIPLERPLGEVYLDSSKPAVYNYPEGAAYEFNAAAAANAQVYGQTGLPYGPGSEAAAFGSNGLGGFPPLNSVSPSPLMLLHPPPQLSPFLQPHGQQVPYYLENEPSGYTVREAGPPAFYRPNSDNRRQGGRERLASTNDKGSMAMESAKETRYCAVCNDYASGYHYGVWSCEGCKAFFKRSIQGHNDYMCPATNQCTIDKNRRKSCQACRLRKCYEVGMMKGGIRKDRRGGRMLKHKRQRDDGEGRGEVGSAGDMRAANLWPSPLMIKRSKKNSLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMINWAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKCVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPLYDLLLEMLDAHRLHAPTSRGGASVEETDQSHLATAGSTSSHSLQKYYITGEAEGFPATV
  
Inhibitor
Name:
BDBM50238731
Synonyms:
CHEMBL4091563
Type:
Small organic molecule
Emp. Form.:
C28H28F3NO2
Mol. Mass.:
467.5226
SMILES:
Oc1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(\C=C\C(=O)NCC(F)(F)F)cc1 |TLB:7:8:10:14.12.13,THB:12:11:8:14.13.15,12:13:10.11.17:8,15:13:10:17.16.8,15:16:10:14.12.13,(63.74,-14.98,;63.75,-16.52,;65.09,-17.29,;65.09,-18.83,;63.76,-19.6,;62.43,-18.84,;62.41,-17.31,;63.76,-21.14,;65.1,-21.9,;65.11,-23.39,;63.91,-24.66,;65.41,-24.25,;66.82,-24.81,;67.83,-23.53,;66.43,-23.88,;67.84,-22,;66.44,-21.43,;65.4,-22.66,;62.43,-21.91,;61.1,-21.15,;59.77,-21.92,;59.77,-23.46,;58.43,-24.23,;57.1,-23.46,;55.76,-24.23,;55.75,-25.77,;54.43,-23.45,;53.09,-24.22,;51.76,-23.44,;51.77,-21.9,;50.42,-24.21,;50.42,-22.67,;61.1,-24.23,;62.44,-23.46,)|
Structure:
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