Reaction Details  Report a problem with these data
Target
Estrogen receptor beta
Ligand
BDBM50458896
Substrate
n/a
Meas. Tech.
ChEMBL_1764866 (CHEMBL4200113)
Ki
167±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:
BDBM50458896
Synonyms:
CHEMBL4211163
Type:
Small organic molecule
Emp. Form.:
C32H26O5S
Mol. Mass.:
522.611
SMILES:
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1ccccc1)c1ccc(\C=C\c2ccccc2)cc1 |t:8,TLB:24:8:10:13.12,THB:14:13:7.8:10|
Structure:
Search PDB for entries with ligand similarity: