Reaction Details Report a problem with these data
Target
Estrogen receptor beta
Ligand
BDBM50187243
Substrate
n/a
Meas. Tech.
ChEMBL_356358 (CHEMBL867525)
IC50
8.1±n/a nM
Citation
 Jain, N; Kanojia, RM; Xu, J; Jian-Zhong, G; Pacia, E; Lai, MT; Du, F; Musto, A; Allan, G; Hahn, D; Lundeen, S; Sui, Z Novel chromene-derived selective estrogen receptor modulators useful for alleviating hot flushes and vaginal dryness. J Med Chem 49:3056-9 (2006) [PubMed]  Article 
Target
Name:
Estrogen receptor beta
Synonyms:
ER-beta | ESR2 | ESR2_HUMAN | ESTRB | Estradiol receptor beta (ERβ) | Estrogen receptor | Estrogen receptor (ER beta) | Estrogen receptor beta | Estrogen receptor beta (ER beta) | Estrogen receptor beta (ER) | NR3A2 | Nuclear receptor subfamily 3 group A member 2 | estrogen beta
Type:
Protein
Mol. Mass.:
59238.43
Organism:
Homo sapiens (Human)
Description:
Q92731
Residue:
530
Sequence:
MDIKNSPSSLNSPSSYNCSQSILPLEHGSIYIPSSYVDSHHEYPAMTFYSPAVMNYSIPSNVTNLEGGPGRQTTSPNVLWPTPGHLSPLVVHRQLSHLYAEPQKSPWCEARSLEHTLPVNRETLKRKVSGNRCASPVTGPGSKRDAHFCAVCSDYASGYHYGVWSCEGCKAFFKRSIQGHNDYICPATNQCTIDKNRRKSCQACRLRKCYEVGMVKCGSRRERCGYRLVRRQRSADEQLHCAGKAKRSGGHAPRVRELLLDALSPEQLVLTLLEAEPPHVLISRPSAPFTEASMMMSLTKLADKELVHMISWAKKIPGFVELSLFDQVRLLESCWMEVLMMGLMWRSIDHPGKLIFAPDLVLDRDEGKCVEGILEIFDMLLATTSRFRELKLQHKEYLCVKAMILLNSSMYPLVTATQDADSSRKLAHLLNAVTDALVWVIAKSGISSQQQSMRLANLLMLLSHVRHASNKGMEHLLNMKCKNVVPVYDLLLEMLNAHVLRGCKSSITGSECSPAEDSKSKEGSQNPQSQ
  
Inhibitor
Name:
BDBM50187243
Synonyms:
17-ethinyl-3,17-estradiol | 17-ethinyl-3,17-oestradiol | 17-ethinylestradiol | 17alpha-Ethinyl estradiol | 17alpha-ethynylestra-1,3,5(10)-triene-3,17beta-diol | 17alpha-ethynylestradiol | CHEMBL691 | ETHINYL ESTRADIOL | Ethinylestradiol | Ethynyl estradiol | ethinyloestradiol
Type:
Small organic molecule
Emp. Form.:
C20H24O2
Mol. Mass.:
296.4034
SMILES:
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C#C |r|
Structure:
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