Reaction Details Report a problem with these data
Target
Estrogen receptor beta
Ligand
BDBM50149505
Substrate
n/a
Meas. Tech.
ChEMBL_304573 (CHEMBL877124)
IC50
64±n/a nM
Citation
Blizzard, TA; DiNinno, F; Morgan, JD; Wu, JY; Chen, HY; Kim, S; Chan, W; Birzin, ET; Yang, YT; Pai, LY; Zhang, Z; Hayes, EC; DaSilva, CA; Tang, W; Rohrer, SP; Schaeffer, JM; Hammond, ML Estrogen receptor ligands. Part 8: Dihydrobenzoxathiin SERAMs with heteroatom-substituted side chains. Bioorg Med Chem Lett 14:3865-8 (2004) [PubMed] Article
More Info.:
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:
BDBM50149505
Synonyms:
(2S,3R)-3-(4-Hydroxy-phenyl)-2-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-2,3-dihydro-benzo[1,4]oxathiin-6-ol | (2S,3R)-3-(4-hydroxyphenyl)-2-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-2,3-dihydrobenzo[b][1,4]oxathiin-6-ol | CHEMBL362623
Type:
Small organic molecule
Emp. Form.:
C26H27NO4S
Mol. Mass.:
449.562
SMILES:
Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2CCCC2)cc1