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Target
Estrogen receptor
Ligand
BDBM50149505
Substrate
n/a
Meas. Tech.
ChEMBL_325824 (CHEMBL863236)
IC50
2.6±n/a nM
Citation
 Blizzard, TA; Morgan, JD; Chan, W; Birzin, ET; Pai, LY; Hayes, EC; DaSilva, CA; Mosley, RT; Yang, YT; Rohrer, SP; Dininno, F; Hammond, ML Estrogen receptor ligands. Part 14: application of novel antagonist side chains to existing platforms. Bioorg Med Chem Lett 15:5124-8 (2005) [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:
BDBM50149505
Synonyms:
(2S,3R)-3-(4-Hydroxy-phenyl)-2-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-2,3-dihydro-benzo[1,4]oxathiin-6-ol | (2S,3R)-3-(4-hydroxyphenyl)-2-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-2,3-dihydrobenzo[b][1,4]oxathiin-6-ol | CHEMBL362623
Type:
Small organic molecule
Emp. Form.:
C26H27NO4S
Mol. Mass.:
449.562
SMILES:
Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2CCCC2)cc1
Structure:
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