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Target
Estrogen receptor beta
Ligand
BDBM50144854
Substrate
n/a
Meas. Tech.
ChEMBL_67811 (CHEMBL676380)
IC50
5950±n/a nM
Citation
 Kim, S; Wu, JY; Birzin, ET; Frisch, K; Chan, W; Pai, LY; Yang, YT; Mosley, RT; Fitzgerald, PM; Sharma, N; Dahllund, J; Thorsell, AG; DiNinno, F; Rohrer, SP; Schaeffer, JM; Hammond, ML Estrogen receptor ligands. II. Discovery of benzoxathiins as potent, selective estrogen receptor alpha modulators. J Med Chem 47:2171-5 (2004) [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:
BDBM50144854
Synonyms:
(2R,3S)-3-(4-Hydroxy-phenyl)-4,4-dioxo-2-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-3,4-dihydro-2H-4lambda*6*-benzo[1,4]oxathiin-6-ol | CHEMBL70117
Type:
Small organic molecule
Emp. Form.:
C27H29NO6S
Mol. Mass.:
495.587
SMILES:
Oc1ccc(cc1)[C@H]1[C@H](Oc2ccc(O)cc2S1(=O)=O)c1ccc(OCCN2CCCCC2)cc1
Structure:
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