Reaction Details Report a problem with these data
Target
Estrogen receptor beta
Ligand
BDBM20586
Substrate
n/a
Meas. Tech.
ChEMBL_307274 (CHEMBL831659)
IC50
345.94±n/a nM
Citation
 Mukherjee, S; Saha, A; Roy, K QSAR of estrogen receptor modulators: exploring selectivity requirements for ER(alpha) versus ER(beta) binding of tetrahydroisoquinoline derivatives using E-state and physicochemical parameters. Bioorg Med Chem Lett 15:957-61 (2005) [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:
BDBM20586
Synonyms:
2-phenyl-1-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-1,2,3,4-tetrahydroisoquinolin-6-ol | tetrahydroisoquinoline derivative, 18a
Type:
Small organic molecule
Emp. Form.:
C28H32N2O2
Mol. Mass.:
428.5659
SMILES:
Oc1ccc2C(N(CCc2c1)c1ccccc1)c1ccc(OCCN2CCCCC2)cc1
Structure:
Search PDB for entries with ligand similarity: