Reaction Details Report a problem with these data
Target
Estrogen receptor
Ligand
BDBM50520564
Substrate
n/a
Meas. Tech.
ChEMBL_1880789 (CHEMBL4382183)
IC50
0.820000±n/a nM
Citation
 Kargbo, RB Cereblon Based Immunomodulatory Therapeutics. ACS Med Chem Lett 11:407-408 (2020) [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:
BDBM50520564
Synonyms:
CHEMBL4466148
Type:
Small organic molecule
Emp. Form.:
C48H51FN4O6
Mol. Mass.:
798.9401
SMILES:
COc1cc(cc2CN(C3CCC(=O)NC3=O)C(=O)c12)N1CCN(CC1)C1CC2CC(CC2C1)Oc1ccc(cc1)[C@H]1[C@H](CCc2cc(O)ccc12)c1ccc(F)cc1 |r,wU:41.47,42.60,(67.34,-24.52,;65.8,-24.5,;65.01,-25.82,;63.48,-25.79,;62.7,-27.1,;63.43,-28.45,;64.98,-28.48,;65.98,-29.63,;67.39,-29.03,;68.71,-29.82,;70.04,-29.06,;71.36,-29.85,;71.34,-31.39,;72.65,-32.18,;69.99,-32.13,;68.68,-31.35,;67.34,-32.09,;67.25,-27.51,;68.41,-26.5,;65.76,-27.17,;61.16,-27.08,;60.36,-28.39,;58.83,-28.36,;58.09,-27.02,;58.87,-25.7,;60.41,-25.73,;56.56,-27,;55.63,-28.23,;54.18,-27.73,;52.7,-28.18,;51.81,-26.92,;52.75,-25.69,;54.2,-26.19,;55.67,-25.74,;50.27,-26.9,;49.48,-28.22,;50.22,-29.58,;49.43,-30.9,;47.88,-30.86,;47.13,-29.52,;47.92,-28.2,;47.09,-32.18,;47.83,-33.55,;47.03,-34.87,;45.49,-34.83,;44.74,-33.49,;43.21,-33.44,;42.46,-32.09,;40.92,-32.06,;43.25,-30.78,;44.79,-30.8,;45.54,-32.16,;49.37,-33.57,;50.11,-34.93,;51.66,-34.96,;52.46,-33.63,;53.99,-33.66,;51.7,-32.28,;50.16,-32.25,)|
Structure:
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