Reaction Details Report a problem with these data
Target
Estrogen receptor beta
Ligand
BDBM50121621
Substrate
n/a
Meas. Tech.
ChEMBL_67203 (CHEMBL838887)
Ki
115±n/a nM
Citation
Henke, BR; Consler, TG; Go, N; Hale, RL; Hohman, DR; Jones, SA; Lu, AT; Moore, LB; Moore, JT; Orband-Miller, LA; Robinett, RG; Shearin, J; Spearing, PK; Stewart, EL; Turnbull, PS; Weaver, SL; Williams, SP; Wisely, GB; Lambert, MH A new series of estrogen receptor modulators that display selectivity for estrogen receptor beta. J Med Chem 45:5492-505 (2002) [PubMed] Article
More Info.:
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:
Human
Description:
Q92731
Residue:
530
Sequence:
MDIKNSPSSLNSPSSYNCSQSILPLEHGSIYIPSSYVDSHHEYPAMTFYSPAVMNYSIPSNVTNLEGGPGRQTTSPNVLWPTPGHLSPLVVHRQLSHLYAEPQKSPWCEARSLEHTLPVNRETLKRKVSGNRCASPVTGPGSKRDAHFCAVCSDYASGYHYGVWSCEGCKAFFKRSIQGHNDYICPATNQCTIDKNRRKSCQACRLRKCYEVGMVKCGSRRERCGYRLVRRQRSADEQLHCAGKAKRSGGHAPRVRELLLDALSPEQLVLTLLEAEPPHVLISRPSAPFTEASMMMSLTKLADKELVHMISWAKKIPGFVELSLFDQVRLLESCWMEVLMMGLMWRSIDHPGKLIFAPDLVLDRDEGKCVEGILEIFDMLLATTSRFRELKLQHKEYLCVKAMILLNSSMYPLVTATQDADSSRKLAHLLNAVTDALVWVIAKSGISSQQQSMRLANLLMLLSHVRHASNKGMEHLLNMKCKNVVPVYDLLLEMLNAHVLRGCKSSITGSECSPAEDSKSKEGSQNPQSQ
Inhibitor
Name:
BDBM50121621
Synonyms:
4-{2-[4-{[3-(4-Chloro-phenyl)-propyl]-methyl-amino}-6-(4-pyridin-4-ylmethyl-piperazin-1-yl)-[1,3,5]triazin-2-ylamino]-ethyl}-phenol | CHEMBL155044
Type:
Small organic molecule
Emp. Form.:
C31H37ClN8O
Mol. Mass.:
573.131
SMILES:
CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCN(Cc2ccncc2)CC1