Reaction Details Report a problem with these data
Target
Estrogen receptor
Ligand
BDBM50520565
Substrate
n/a
Meas. Tech.
ChEMBL_1880789 (CHEMBL4382183)
IC50
0.700000±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:
BDBM50520565
Synonyms:
CHEMBL4469271
Type:
Small organic molecule
Emp. Form.:
C46H48N4O7
Mol. Mass.:
768.8959
SMILES:
COc1cc(cc2CN(C3CCC(=O)NC3=O)C(=O)c12)N1CCN(CC(=O)C2CC(C2)Oc2ccc(cc2)[C@H]2[C@H](CCc3cc(O)ccc23)c2ccccc2)CC1 |r,wU:38.42,39.55,(26.71,-11.57,;27.5,-10.25,;26.74,-8.91,;25.2,-8.89,;24.45,-7.55,;25.22,-6.23,;26.76,-6.24,;27.79,-5.09,;29.2,-5.72,;30.53,-4.95,;31.85,-5.73,;33.18,-4.97,;33.19,-3.43,;34.52,-2.67,;31.86,-2.66,;30.52,-3.42,;29.19,-2.66,;29.04,-7.26,;30.18,-8.29,;27.53,-7.58,;22.91,-7.54,;22.19,-8.9,;20.66,-8.96,;19.85,-7.66,;18.31,-7.72,;17.49,-6.42,;18.2,-5.06,;15.95,-6.48,;14.91,-7.61,;13.79,-6.57,;14.82,-5.44,;12.25,-6.63,;11.54,-7.99,;12.36,-9.3,;11.64,-10.67,;10.1,-10.72,;9.27,-9.43,;9.98,-8.06,;9.38,-12.08,;10.2,-13.4,;9.48,-14.77,;7.93,-14.82,;7.11,-13.52,;5.57,-13.56,;4.75,-12.26,;3.21,-12.31,;5.47,-10.9,;7.01,-10.84,;7.83,-12.15,;11.74,-13.34,;12.56,-14.65,;14.1,-14.6,;14.82,-13.23,;13.99,-11.92,;12.45,-11.98,;20.55,-6.29,;22.1,-6.24,)|
Structure:
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