Target
Estrogen receptor
Ligand
BDBM50162799
Substrate
n/a
Meas. Tech.
ChEMBL_305467 (CHEMBL831077)
IC50
0.3±n/a nM
Citation
 Tan, QBlizzard, TAMorgan, JDBirzin, ETChan, WYang, YTPai, LYHayes, ECDaSilva, CAWarrier, SYudkovitz, JWilkinson, HASharma, NFitzgerald, PMLi, SColwell, LFisher, JEAdamski, SReszka, AAKimmel, DDiNinno, FRohrer, SPFreedman, LPSchaeffer, JMHammond, ML Estrogen receptor ligands. Part 10: Chromanes: old scaffolds for new SERAMs. Bioorg Med Chem Lett 15:1675-81 (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:
BDBM50162799
Synonyms:
(2R,3R,4S)-2-[4-(2-Azepan-1-yl-ethoxy)-phenyl]-5-fluoro-3-(4-hydroxy-phenyl)-4-methyl-chroman-6-ol | CHEMBL181368
Type:
Small organic molecule
Emp. Form.:
C30H34FNO4
Mol. Mass.:
491.5937
SMILES:
C[C@H]1[C@@H]([C@@H](Oc2ccc(O)c(F)c12)c1ccc(OCCN2CCCCCC2)cc1)c1ccc(O)cc1
Structure:
Search PDB for entries with ligand similarity: