Target
Estrogen receptor
Ligand
BDBM50238725
Substrate
n/a
Meas. Tech.
ChEMBL_1664056 (CHEMBL4013737)
Ki
0.710000±n/a nM
Citation
 Min, JGuillen, VSSharma, AZhao, YZiegler, YGong, PMayne, CGSrinivasan, SKim, SHCarlson, KENettles, KWKatzenellenbogen, BSKatzenellenbogen, JA Adamantyl Antiestrogens with Novel Side Chains Reveal a Spectrum of Activities in Suppressing Estrogen Receptor Mediated Activities in Breast Cancer Cells. J Med Chem 60:6321-6336 (2017) [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:
BDBM50238725
Synonyms:
CHEMBL4081283
Type:
Small organic molecule
Emp. Form.:
C31H37NO2
Mol. Mass.:
455.631
SMILES:
CCCCN(C)C(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1 |TLB:16:17:19:23.21.22,THB:21:20:17:23.22.24,21:22:19.20.26:17,24:22:19:26.25.17,24:25:19:23.21.22,(50.49,-39.11,;51.82,-39.89,;53.15,-39.12,;54.48,-39.9,;55.82,-39.13,;55.83,-37.59,;57.15,-39.91,;57.15,-41.45,;58.49,-39.14,;59.83,-39.91,;61.16,-39.14,;61.16,-37.6,;62.49,-36.83,;63.83,-37.59,;63.83,-39.14,;62.49,-39.91,;65.16,-36.82,;66.49,-37.58,;66.5,-39.07,;65.3,-40.34,;66.8,-39.93,;68.21,-40.49,;69.22,-39.21,;67.82,-39.56,;69.24,-37.68,;67.83,-37.11,;66.79,-38.34,;65.15,-35.28,;66.48,-34.51,;66.48,-32.97,;65.14,-32.2,;65.13,-30.66,;63.81,-32.99,;63.82,-34.52,)|
Structure:
Search PDB for entries with ligand similarity: