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Target
Estrogen receptor
Ligand
BDBM50318635
Substrate
n/a
Meas. Tech.
ChEMBL_633227 (CHEMBL1119434)
EC50
43.8±n/a nM
Citation
 Shen, J; Tan, C; Zhang, Y; Li, X; Li, W; Huang, J; Shen, X; Tang, Y Discovery of potent ligands for estrogen receptor beta by structure-based virtual screening. J Med Chem 53:5361-5 (2010) [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:
BDBM50318635
Synonyms:
7-hydroxy-3-o-tolyl-2-(trifluoromethyl)-4H-chromen-4-one | CHEMBL1084264
Type:
Small organic molecule
Emp. Form.:
C17H11F3O3
Mol. Mass.:
320.2626
SMILES:
Cc1ccccc1-c1c(oc2cc(O)ccc2c1=O)C(F)(F)F |(11.68,-10.96,;13.01,-10.19,;14.35,-10.95,;15.68,-10.18,;15.67,-8.63,;14.33,-7.87,;13.02,-8.66,;11.68,-7.89,;11.67,-6.34,;10.33,-5.58,;9,-6.36,;7.67,-5.59,;6.34,-6.36,;5,-5.59,;6.33,-7.91,;7.67,-8.68,;9.01,-7.9,;10.34,-8.67,;10.35,-10.21,;13,-5.57,;14.34,-6.33,;12.99,-4.03,;14.33,-4.78,)|
Structure:
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