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Target
Estrogen receptor
Ligand
BDBM50146220
Substrate
n/a
Meas. Tech.
ChEBML_67500
IC50
54±n/a nM
Citation
 Chesworth, R; Zawistoski, MP; Lefker, BA; Cameron, KO; Day, RF; Mangano, FM; Rosati, RL; Colella, S; Petersen, DN; Brault, A; Lu, B; Pan, LC; Perry, P; Ng, O; Castleberry, TA; Owen, TA; Brown, TA; Thompson, DD; DaSilva-Jardine, P Tetrahydroisoquinolines as subtype selective estrogen agonists/antagonists. Bioorg Med Chem Lett 14:2729-33 (2004) [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:
BDBM50146220
Synonyms:
2,2,2-Trifluoro-1-[(R)-6-hydroxy-1-(4-hydroxy-phenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-ethanone | CHEMBL93326
Type:
Small organic molecule
Emp. Form.:
C17H14F3NO3
Mol. Mass.:
337.2932
SMILES:
Oc1ccc(cc1)[C@H]1N(CCc2cc(O)ccc12)C(=O)C(F)(F)F
Structure:
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