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Target
Estrogen receptor
Ligand
BDBM50238728
Substrate
n/a
Meas. Tech.
ChEMBL_1664056 (CHEMBL4013737)
Ki
0.450000±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:
BDBM50238728
Synonyms:
CHEMBL4089824
Type:
Small organic molecule
Emp. Form.:
C30H34O4
Mol. Mass.:
458.5886
SMILES:
OCCCCOC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1 |TLB:16:17:19:23.21.22,THB:21:20:17:23.22.24,21:22:19.20.26:17,24:22:19:26.25.17,24:25:19:23.21.22,(2.92,-25.43,;4.26,-24.66,;5.59,-25.43,;6.93,-24.66,;8.26,-25.43,;9.59,-24.66,;10.93,-25.43,;10.93,-26.97,;12.26,-24.67,;13.59,-25.44,;14.93,-24.67,;14.93,-23.12,;16.26,-22.35,;17.59,-23.12,;17.6,-24.67,;16.26,-25.44,;18.93,-22.34,;20.26,-23.11,;20.27,-24.6,;19.07,-25.87,;20.57,-25.46,;21.98,-26.01,;22.99,-24.74,;21.59,-25.08,;23.01,-23.21,;21.6,-22.64,;20.56,-23.86,;18.92,-20.8,;20.25,-20.04,;20.25,-18.5,;18.91,-17.73,;18.9,-16.19,;17.58,-18.51,;17.59,-20.05,)|
Structure:
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