Target
Estrogen receptor
Ligand
BDBM50178324
Substrate
n/a
Meas. Tech.
ChEMBL_332769 (CHEMBL865276)
IC50
4643±n/a nM
Citation
 Blizzard, TAGude, CMorgan, JDChan, WBirzin, ETMojena, MTudela, CChen, FKnecht, KSu, QKraker, BMosley, RTHolmes, MASharma, NFitzgerald, PMRohrer, SPHammond, ML Androstenediol analogs as ER-beta-selective SERMs. Bioorg Med Chem Lett 16:834-8 (2006) [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:
BDBM50178324
Synonyms:
(3S,10S,13S,17S)-13-methyl-10-(prop-2-ynyl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol | CHEMBL203561
Type:
Small organic molecule
Emp. Form.:
C21H30O2
Mol. Mass.:
314.4617
SMILES:
C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34CC#C)C1CC[C@@H]2O |t:7|
Structure:
Search PDB for entries with ligand similarity: