Reaction Details Report a problem with these data
Target
Estrogen receptor
Ligand
BDBM50523062
Substrate
n/a
Meas. Tech.
ChEMBL_1888881 (CHEMBL4390558)
IC50
0.280000±n/a nM
Citation
 Labadie, SS; Li, J; Blake, RA; Chang, JH; Goodacre, S; Hartman, SJ; Liang, W; Kiefer, JR; Kleinheinz, T; Lai, T; Liao, J; Ortwine, DF; Mody, V; Ray, NC; Roussel, F; Vinogradova, M; Yeap, SK; Zhang, B; Zheng, X; Zbieg, JR; Liang, J; Wang, X Discovery of a C-8 hydroxychromene as a potent degrader of estrogen receptor alpha with improved rat oral exposure over GDC-0927. Bioorg Med Chem Lett 29:2090-2093 (2019) [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:
BDBM50523062
Synonyms:
CHEMBL4450730
Type:
Small organic molecule
Emp. Form.:
C28H34FNO4
Mol. Mass.:
467.5723
SMILES:
CC1=C(C2CCC(O)CC2)[C@@H](Oc2ccc(O)cc12)c1ccc(OCCN2CC(CF)C2)cc1 |r,wD:10.21,c:1,(67.35,-31.08,;67.35,-32.62,;68.7,-33.4,;70.03,-32.64,;71.37,-33.42,;72.7,-32.65,;72.7,-31.11,;74.04,-30.34,;71.36,-30.34,;70.03,-31.11,;68.7,-34.96,;67.35,-35.73,;66.01,-34.95,;64.68,-35.72,;63.35,-34.95,;63.35,-33.41,;62.02,-32.64,;64.68,-32.64,;66.01,-33.4,;70.02,-35.73,;70.02,-37.27,;71.35,-38.05,;72.68,-37.28,;74.02,-38.05,;75.35,-37.29,;76.68,-38.06,;78.02,-37.29,;79.5,-37.7,;79.9,-36.21,;81.24,-35.44,;82.57,-36.21,;78.42,-35.81,;72.68,-35.73,;71.35,-34.97,)|
Structure:
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