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Target
Estrogen receptor
Ligand
BDBM50224174
Substrate
n/a
Meas. Tech.
ChEMBL_450479 (CHEMBL900763)
IC50
56±n/a nM
Citation
 Knox, AJ; Meegan, MJ; Sobolev, V; Frost, D; Zisterer, DM; Williams, DC; Lloyd, DG Target specific virtual screening: optimization of an estrogen receptor screening platform. J Med Chem 50:5301-10 (2007) [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:
BDBM50224174
Synonyms:
2-amino-7-hydroxy-4-[4-(4-methyl-benzyloxy)-phenyl]-4H-chromene-3-carboxylic acid methyl ester | CHEMBL235497
Type:
Small organic molecule
Emp. Form.:
C25H23NO5
Mol. Mass.:
417.4538
SMILES:
COC(=O)C1C(c2ccc(OCc3ccc(C)cc3)cc2)c2ccc(O)cc2OC1=N
Structure:
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