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Target
Estrogen receptor
Ligand
BDBM50276473
Substrate
n/a
Meas. Tech.
ChEMBL_542868 (CHEMBL1022145)
IC50
>10000±n/a nM
Citation
 Robinson, RP; Buckbinder, L; Haugeto, AI; McNiff, PA; Millham, ML; Reese, MR; Schaefer, JF; Abramov, YA; Bordner, J; Chantigny, YA; Kleinman, EF; Laird, ER; Morgan, BP; Murray, JC; Salter, ED; Wessel, MD; Yocum, SA Octahydrophenanthrene-2,7-diol analogues as dissociated glucocorticoid receptor agonists: discovery and lead exploration. J Med Chem 52:1731-43 (2009) [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:
BDBM50276473
Synonyms:
(2S,4R,4aR,10aR)-4a-Ethyl-2-prop-1-ynyl-1,2,3,4,4a,9,10,10aoctahydro-phenanthrene-2,4,7-triol | CHEMBL457242
Type:
Small organic molecule
Emp. Form.:
C19H24O3
Mol. Mass.:
300.3921
SMILES:
CC[C@@]12[C@H](O)C[C@@](O)(C[C@H]1CCc1cc(O)ccc21)C#CC |r|
Structure:
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