Reaction Details Report a problem with these data
Target
Estrogen receptor beta
Ligand
BDBM40627
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:
BDBM40627
Synonyms:
(E)-3-amino-2-[1-oxo-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]thio]ethyl]-2-butenenitrile | (E)-3-amino-2-[2-[[5-(isopropylamino)-1,3,4-thiadiazol-2-yl]thio]acetyl]but-2-enenitrile | (E)-3-amino-2-[2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]but-2-enenitrile | (E)-3-azanyl-2-[2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoyl]but-2-enenitrile | MLS000056676 | SMR000065414 | cid_5742574
Type:
Small organic molecule
Emp. Form.:
C11H15N5OS2
Mol. Mass.:
297.4
SMILES:
CC(C)Nc1nnc(SCC(=O)C(C#N)C(C)=N)s1
Structure:
Search PDB for entries with ligand similarity: