Target
Estrogen receptor
Ligand
BDBM50238720
Substrate
n/a
Meas. Tech.
ChEMBL_1664056 (CHEMBL4013737)
Ki
0.360000±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:
BDBM50238720
Synonyms:
CHEMBL4102857
Type:
Small organic molecule
Emp. Form.:
C30H35NO3
Mol. Mass.:
457.6038
SMILES:
OCCCCNC(=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,(2.78,-26.63,;4.11,-25.87,;5.45,-26.64,;6.78,-25.88,;8.11,-26.65,;9.45,-25.89,;10.78,-26.66,;10.77,-28.2,;12.12,-25.89,;13.45,-26.67,;14.79,-25.9,;14.79,-24.35,;16.12,-23.58,;17.45,-24.35,;17.46,-25.9,;16.12,-26.67,;18.79,-23.57,;20.12,-24.34,;20.13,-25.83,;18.93,-27.1,;20.43,-26.68,;21.84,-27.24,;22.85,-25.96,;21.45,-26.31,;22.87,-24.44,;21.46,-23.86,;20.42,-25.09,;18.78,-22.03,;20.11,-21.26,;20.11,-19.73,;18.77,-18.96,;18.76,-17.42,;17.44,-19.74,;17.45,-21.28,)|
Structure:
Search PDB for entries with ligand similarity: