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Target
Estrogen receptor
Ligand
BDBM50146262
Substrate
n/a
Meas. Tech.
ChEBML_67363
IC50
0.800000±n/a nM
Citation
 Kim, S; Wu, J; Chen, HY; Birzin, ET; Chan, W; Yang, YT; Colwell, L; Li, S; Dahllund, J; DiNinno, F; Rohrer, SP; Schaeffer, JM; Hammond, ML Estrogen receptor ligands. Part 4: The SAR of the syn-dihydrobenzoxathiin SERAMs. Bioorg Med Chem Lett 14:2741-5 (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:
BDBM50146262
Synonyms:
(2S,3R)-3-(3-Hydroxy-phenyl)-2-{4-[2-(4-methyl-piperidin-1-yl)-ethoxy]-phenyl}-2,3-dihydro-benzo[1,4]oxathiin-6-ol | CHEMBL92635
Type:
Small organic molecule
Emp. Form.:
C28H31NO4S
Mol. Mass.:
477.615
SMILES:
CC1CCN(CCOc2ccc(cc2)[C@@H]2Oc3ccc(O)cc3S[C@@H]2c2cccc(O)c2)CC1
Structure:
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