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Target
Estrogen receptor beta
Ligand
BDBM50121626
Substrate
n/a
Meas. Tech.
ChEMBL_67203 (CHEMBL838887)
Ki
15±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 
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:
BDBM50121626
Synonyms:
4-(2-{4-[3-(4-Chloro-phenyl)-propylsulfanyl]-6-piperazin-1-yl-[1,3,5]triazin-2-ylamino}-ethyl)-phenol | 4-(2-{[4-{[3-(4-CHLOROPHENYL)PROPYL]SULFANYL}-6-(1-PIPERAZINYL)-1,3,5-TRIAZIN-2-YL]AMINO}ETHYL)PHENOL | CHEMBL346455
Type:
Small organic molecule
Emp. Form.:
C24H29ClN6OS
Mol. Mass.:
485.045
SMILES:
Oc1ccc(CCNc2nc(SCCCc3ccc(Cl)cc3)nc(n2)N2CCNCC2)cc1
Structure:
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