Reaction Details Report a problem with these data
Target
Estrogen receptor beta
Ligand
BDBM40154
Substrate
n/a
Meas. Tech.
Estrogen Receptor-beta Coactivator Binding Inhibitors Dose Response Confirmation
IC50
1562.5±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:
BDBM40154
Synonyms:
(5E)-5-[[5-[[(2-anilino-1,2-dioxoethyl)amino]methyl]-2-furanyl]methylidene]-2-methyl-4-oxo-1H-pyrrole-3-carboxylic acid ethyl ester | (5E)-5-[[5-[[(2-anilino-2-keto-acetyl)amino]methyl]-2-furyl]methylene]-4-keto-2-methyl-2-pyrroline-3-carboxylic acid ethyl ester | 2-Methyl-4-oxo-5-{5-[(phenylaminooxalyl-amino)-methyl]-furan-2-ylmethylene}-4,5-dihydro-1H-pyrrole-3-carboxylic acid ethyl ester | MLS000526936 | SMR000117410 | cid_5350469 | ethyl (5E)-2-methyl-4-oxidanylidene-5-[[5-[[(2-oxidanylidene-2-phenylazanyl-ethanoyl)amino]methyl]furan-2-yl]methylidene]-1H-pyrrole-3-carboxylate | ethyl (5E)-5-[[5-[[(2-anilino-2-oxoacetyl)amino]methyl]furan-2-yl]methylidene]-2-methyl-4-oxo-1H-pyrrole-3-carboxylate
Type:
Small organic molecule
Emp. Form.:
C22H21N3O6
Mol. Mass.:
423.4186
SMILES:
CCOC(=O)c1c(O)c(=Cc2ccc(CNC(=O)C(=O)Nc3ccccc3)o2)[nH]c1=C
Structure:
Search PDB for entries with ligand similarity: