Reaction Details Report a problem with these data
Target
Estrogen receptor beta
Ligand
BDBM39972
Substrate
n/a
Meas. Tech.
Estrogen Receptor-beta Coactivator Binding Inhibitors Dose Response Confirmation
IC50
1910.93±n/a nM
Citation
 PubChem, PC Estrogen Receptor-beta Coactivator Binding Inhibitors Dose Response Confirmation PubChem Bioassay (2007)[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:
BDBM39972
Synonyms:
5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylic acid [2-[(1,1-diketothiolan-3-yl)-isobutyl-amino]-2-keto-ethyl] ester | 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylic acid [2-[(1,1-dioxo-3-thiolanyl)-(2-methylpropyl)amino]-2-oxoethyl] ester | MLS000058569 | SMR000068287 | [2-[(1,1-dioxothiolan-3-yl)-(2-methylpropyl)amino]-2-oxoethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate | [2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-(2-methylpropyl)amino]-2-oxidanylidene-ethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate | cid_2998734
Type:
Small organic molecule
Emp. Form.:
C18H25NO5S2
Mol. Mass.:
399.525
SMILES:
CC(C)CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)c1cc2CCCc2s1
Structure:
Search PDB for entries with ligand similarity: