Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetEstrogen receptor
LigandBDBM361495
Substrate/Competitorn/a
Meas. Tech.MCF-7 ER Down-Regulation Assay
IC50 0.065±n/a nM
Citation Nissink, JW; Scott, JS; Moss, TA; Hughes, SJ; Barlaam, BC; Yang, B Chemical compounds US Patent US10221173 Publication Date 3/5/2019
More Info.:Get all data from this article,  Assay Method
 
Estrogen receptor
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:
MTMTLHTKASGMALLHQIQGNELEPLNRPQLKIPLERPLGEVYLDSSKPAVYNYPEGAAY
EFNAAAAANAQVYGQTGLPYGPGSEAAAFGSNGLGGFPPLNSVSPSPLMLLHPPPQLSPF
LQPHGQQVPYYLENEPSGYTVREAGPPAFYRPNSDNRRQGGRERLASTNDKGSMAMESAK
ETRYCAVCNDYASGYHYGVWSCEGCKAFFKRSIQGHNDYMCPATNQCTIDKNRRKSCQAC
RLRKCYEVGMMKGGIRKDRRGGRMLKHKRQRDDGEGRGEVGSAGDMRAANLWPSPLMIKR
SKKNSLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMINW
AKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKCVEG
MVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHIHRVLD
KITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPLYDLL
LEMLDAHRLHAPTSRGGASVEETDQSHLATAGSTSSHSLQKYYITGEAEGFPATV
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM361495
n/a
NameBDBM361495
Synonyms:3-((1R,3R)-1- (6-fluoro-3-(2- ((3- fluoropropyl) amino)ethoxy)- 2- methylphenyl)- 3-methyl- 1,3,4,9- tetrahydro-2H- pyrido[3,4- b]indol-2- yl)propanenitrile | US10221173, Example 87 | US10590132, Example 87 | US11046689, Example 87
TypeSmall organic molecule
Emp. Form.C27H32F2N4O
Mol. Mass.466.566
SMILESC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CCC#N)c1c(F)ccc(OCCNCCCF)c1C |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: