Reaction Details Report a problem with these data
Target
Estrogen receptor
Ligand
BDBM50112407
Substrate
n/a
Meas. Tech.
ChEMBL_67667 (CHEMBL673860)
Kd
5.8±n/a nM
Citation
 Adamczyk, M; Reddy, RE; Yu, Z Synthesis of a novel fluorescent probe for estrogen receptor. Bioorg Med Chem Lett 12:1283-5 (2002) [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:
BDBM50112407
Synonyms:
5-(3-{4-[1-ethyl-2-(4-hydroxyphenyl)-(E)-1-butenyl]phenoxy}propylcarboxamidomethyl)-2-(6-hydroxy-3-oxo-3H-9-xanthenyl)benzoic acid | CHEMBL22486
Type:
Small organic molecule
Emp. Form.:
C43H39NO8
Mol. Mass.:
697.7717
SMILES:
CC\C(=C(\CC)c1ccc(OCCCC(=O)NCc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)cc1)c1ccc(O)cc1 |(2.39,-7.45,;2.41,-8.99,;3.74,-9.75,;5.07,-8.97,;6.42,-9.73,;6.42,-11.27,;5.06,-7.43,;3.72,-6.67,;3.72,-5.13,;5.04,-4.35,;5.02,-2.81,;6.35,-2.04,;7.7,-2.8,;9.03,-2.01,;10.37,-2.78,;10.37,-4.32,;11.7,-2.01,;13.03,-2.76,;13.04,-4.3,;11.71,-5.09,;11.72,-6.63,;13.05,-7.37,;14.38,-6.61,;14.38,-5.07,;15.94,-7.19,;16.99,-6.02,;16.82,-8.17,;13.07,-8.91,;11.74,-9.69,;10.41,-8.92,;9.08,-9.69,;9.08,-11.23,;7.73,-12,;10.41,-12,;11.74,-11.23,;13.07,-12,;14.4,-11.22,;15.75,-11.98,;17.09,-11.21,;18.18,-12.3,;17.06,-9.64,;15.73,-8.9,;14.4,-9.67,;6.38,-5.11,;6.4,-6.63,;3.76,-11.29,;5.09,-12.04,;5.12,-13.58,;3.79,-14.36,;3.8,-15.9,;2.43,-13.6,;2.43,-12.06,)|
Structure:
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