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Target
Estrogen receptor
Ligand
BDBM50149485
Substrate
n/a
Meas. Tech.
ChEMBL_304574 (CHEMBL831071)
IC50
1±n/a nM
Citation
 Blizzard, TA; DiNinno, F; Morgan, JD; Chen, HY; Wu, JY; Gude, C; Kim, S; Chan, W; Birzin, ET; Tien Yang, Y; Pai, LY; Zhang, Z; Hayes, EC; DaSilva, CA; Tang, W; Rohrer, SP; Schaeffer, JM; Hammond, ML Estrogen receptor ligands. Part 7: Dihydrobenzoxathiin SERAMs with bicyclic amine side chains. Bioorg Med Chem Lett 14:3861-4 (2004) [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:
BDBM50149485
Synonyms:
(2S,3R)-3-(4-Hydroxy-phenyl)-2-{4-[(6R,7S)-2-(octahydro-isoindol-2-yl)-ethoxy]-phenyl}-2,3-dihydro-benzo[1,4]oxathiin-6-ol | CHEMBL185231
Type:
Small organic molecule
Emp. Form.:
C30H33NO4S
Mol. Mass.:
503.652
SMILES:
Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2C[C@H]3CCCC[C@H]3C2)cc1
Structure:
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