Reaction Details Report a problem with these data
Target
Estrogen receptor
Ligand
BDBM50520569
Substrate
n/a
Meas. Tech.
ChEMBL_1880789 (CHEMBL4382183)
IC50
0.300000±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:
BDBM50520569
Synonyms:
CHEMBL4456119
Type:
Small organic molecule
Emp. Form.:
C46H50N4O7
Mol. Mass.:
770.9118
SMILES:
COc1cc(cc2CN(C3CCC(=O)NC3=O)C(=O)c12)N1CCN(CCC2(O)CC(C2)Oc2ccc(cc2)[C@H]2[C@H](CCc3cc(O)ccc23)c2ccccc2)CC1 |r,wU:38.42,39.55,(26.88,-31.48,;27.66,-30.16,;26.91,-28.82,;25.37,-28.8,;24.62,-27.46,;25.39,-26.14,;26.92,-26.15,;27.96,-25.01,;29.36,-25.63,;30.7,-24.87,;32.02,-25.64,;33.35,-24.88,;33.36,-23.35,;34.69,-22.58,;32.03,-22.57,;30.69,-23.34,;29.36,-22.57,;29.2,-27.17,;30.34,-28.2,;27.69,-27.49,;23.08,-27.45,;22.36,-28.81,;20.83,-28.87,;20.01,-27.57,;18.48,-27.63,;17.66,-26.33,;16.12,-26.39,;16.51,-24.9,;15.08,-27.52,;13.96,-26.48,;14.99,-25.35,;12.42,-26.54,;11.71,-27.9,;12.53,-29.22,;11.81,-30.58,;10.27,-30.63,;9.44,-29.34,;10.15,-27.97,;9.55,-31.99,;10.37,-33.31,;9.65,-34.69,;8.1,-34.73,;7.28,-33.43,;5.74,-33.48,;4.92,-32.17,;3.38,-32.22,;5.64,-30.81,;7.18,-30.75,;8,-32.06,;11.91,-33.25,;12.72,-34.57,;14.27,-34.51,;14.99,-33.14,;14.16,-31.83,;12.62,-31.89,;20.72,-26.21,;22.26,-26.15,)|
Structure:
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