Reaction Details Report a problem with these data
Target
Estrogen receptor beta
Ligand
BDBM48453
Substrate
n/a
Meas. Tech.
Estrogen Receptor-beta Coactivator Binding Inhibitors ELISA Secondary Assay
IC50
43.359873±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:
BDBM48453
Synonyms:
2-[[5-[[2-(3-chloroanilino)-4-thiazolyl]methyl]-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]thio]acetic acid cyclohexyl ester | 2-[[5-[[2-(3-chloroanilino)thiazol-4-yl]methyl]-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]thio]acetic acid cyclohexyl ester | MLS000122599 | SMR000120003 | [5-[2-(3-Chloro-phenylamino)-thiazol-4-ylmethyl]-4-(3-methoxy-propyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid cyclohexyl ester | cid_3190578 | cyclohexyl 2-[[5-[[2-(3-chloroanilino)-1,3-thiazol-4-yl]methyl]-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]acetate | cyclohexyl 2-[[5-[[2-[(3-chlorophenyl)amino]-1,3-thiazol-4-yl]methyl]-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate
Type:
Small organic molecule
Emp. Form.:
C24H30ClN5O3S2
Mol. Mass.:
536.11
SMILES:
COCCCn1c(Cc2csc(Nc3cccc(Cl)c3)n2)nnc1SCC(=O)OC1CCCCC1
Structure:
Search PDB for entries with ligand similarity: