Reaction Details  Report a problem with these data
Target
Estrogen receptor beta
Ligand
BDBM19455
Substrate
17beta-estradiol (E2)
Meas. Tech.
Estrogen Receptor Binding and Transcription Activation Assay
pH
7.5±n/a
Temperature
273.15±n/a K
Ki
71±n/a nM
EC50
40±n/a nM
Comments
RBA=0.70 +/- 0.20 %. EC50/IC50 was measured from the antagonist profile.
Citation
 Zhou, HB; Sheng, S; Compton, DR; Kim, Y; Joachimiak, A; Sharma, S; Carlson, KE; Katzenellenbogen, BS; Nettles, KW; Greene, GL; Katzenellenbogen, JA Structure-guided optimization of estrogen receptor binding affinity and antagonist potency of pyrazolopyrimidines with basic side chains. J Med Chem 50:399-403 (2007) [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:
BDBM19455
Synonyms:
4-(3-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl)phenol | Pyrazolo[1,5-a]pyrimidine, 12a
Type:
Small organic molecule
Emp. Form.:
C27H24F6N4O2
Mol. Mass.:
550.4955
SMILES:
Oc1ccc(cc1)-c1nn2c(cc(nc2c1-c1ccc(OCCN2CCCCC2)cc1)C(F)(F)F)C(F)(F)F
Structure:
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Substrate
Name:
BDBM17292
Synonyms:
(1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-triene-5,14-diol | 17 beta-Estradiol | 17α-ethinylestradiol | 17beta-estradiol (E2) | CHEMBL135 | CS336 | ESTRADIOL | Estradiol-17 alpha | Ovocyclin | US9034854, E2 | US9040509, E2 | US9422324, E2 | US9561238, E2 | [2,4,6,7-3H]-17beta-estradiol | [2,4,6,7-3H]-E2 | [3H]-estradiol | [3H]]estradiol
Type:
Steroid
Emp. Form.:
C18H24O2
Mol. Mass.:
272.382
SMILES:
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
Structure:
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