Reaction Details  Report a problem with these data
Target
Estrogen receptor beta
Ligand
BDBM50458909
Substrate
n/a
Meas. Tech.
ChEMBL_1764866 (CHEMBL4200113)
Ki
122±n/a nM
Citation
 Ning, W; Hu, Z; Tang, C; Yang, L; Zhang, S; Dong, C; Huang, J; Zhou, HB Novel Hybrid Conjugates with Dual Suppression of Estrogenic and Inflammatory Activities Display Significantly Improved Potency against Breast Cancer. J Med Chem 61:8155-8173 (2018) [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:
BDBM50458909
Synonyms:
CHEMBL4207109
Type:
Small organic molecule
Emp. Form.:
C24H20O6S
Mol. Mass.:
436.477
SMILES:
[H][C@@]12C[C@@H]([C@]([H])(O1)C(=C2c1ccc(O)cc1)c1ccc(O)cc1)S(=O)(=O)Oc1ccccc1 |r,c:8,TLB:23:3:8.7:6,THB:16:7:6:3.2|
Structure:
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