Reaction Details Report a problem with these data
Target
Estrogen receptor
Ligand
BDBM299133
Substrate
n/a
Meas. Tech.
ERalpha binding assay
IC50
1.90±n/a nM
Citation
 Yang, B; Varnes, JG; Scott, JS; Moss, TA; O Donovan, DH; Nissink, JW; Hughes, SJ; Barlaam, BC Chemical compounds US Patent  US10125135 Publication Date 11/13/2018 
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:
BDBM299133
Synonyms:
(6S,8R)-6-(4-(2- (3- (fluoromethyl) azetidin-1- yl)ethoxy)-2- methoxyphenyl)- 8-methyl-7- (2,2,3- trifluoropropyl)- 6,7,8,9- tetrahydro-3H- pyrazolo[4,3- f]isoquinoline | US10125135, Example 22
Type:
Small organic molecule
Emp. Form.:
C27H32F4N4O2
Mol. Mass.:
520.5622
SMILES:
COc1cc(OCCN2CC(CF)C2)ccc1[C@H]1N(CC(F)(F)CF)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
Structure:
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