Reaction Details Report a problem with these data
Target
Estrogen receptor beta
Ligand
BDBM48306
Substrate
n/a
Meas. Tech.
Estrogen Receptor-beta Coactivator Binding Inhibitors ELISA Secondary Assay
IC50
23±n/a nM
Citation
 PubChem, PC Estrogen Receptor-beta Coactivator Binding Inhibitors ELISA Secondary Assay PubChem Bioassay (2008)[AID] 
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:
BDBM48306
Synonyms:
(6Z)-6-[3-(2-morpholin-4-ylethylsulfanyl)-4-(phenylmethyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one | (6Z)-6-[3-[2-(4-morpholinyl)ethylthio]-4-(phenylmethyl)-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,4-dienone | (6Z)-6-[4-benzyl-3-(2-morpholin-4-ylethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one | (6Z)-6-[4-benzyl-3-(2-morpholinoethylthio)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one | 2-[4-Benzyl-5-(2-morpholin-4-yl-ethylsulfanyl)-4H-[1,2,4]triazol-3-yl]-phenol | MLS000032663 | SMR000001966 | cid_5770358
Type:
Small organic molecule
Emp. Form.:
C21H24N4O2S
Mol. Mass.:
396.506
SMILES:
Oc1ccccc1-c1nnc(SCCN2CCOCC2)n1Cc1ccccc1
Structure:
Search PDB for entries with ligand similarity: