Reaction Details Report a problem with these data
Target
Estrogen receptor beta
Ligand
BDBM50168378
Substrate
n/a
Meas. Tech.
ChEMBL_475716 (CHEMBL934602)
IC50
2000±n/a nM
Citation
 Crisman, TJ; Bender, A; Milik, M; Jenkins, JL; Scheiber, J; Sukuru, SC; Fejzo, J; Hommel, U; Davies, JW; Glick, M "Virtual fragment linking": an approach to identify potent binders from low affinity fragment hits. J Med Chem 51:2481-91 (2008) [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:
BDBM50168378
Synonyms:
2-methyl-6-o-tolylnaphthalene | 6-(2-Hydroxy-phenyl)-naphthalen-2-ol | 6-(2-hydroxyphenyl)-2-naphthol | CHEMBL195058
Type:
Small organic molecule
Emp. Form.:
C16H12O2
Mol. Mass.:
236.2653
SMILES:
Oc1ccc2cc(ccc2c1)-c1ccccc1O
Structure:
Search PDB for entries with ligand similarity: