Reaction Details Report a problem with these data
Target
Estrogen receptor beta
Ligand
BDBM19982
Substrate
17beta-estradiol (E2)
Meas. Tech.
Estrogen Receptor Binding Assay.
pH
7.5±n/a
Temperature
295.15±n/a K
Ki
0.44±0.26 nM
Citation
 Richardson, TI; Dodge, JA; Durst, GL; Pfeifer, LA; Shah, J; Wang, Y; Durbin, JD; Krishnan, V; Norman, BH Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 3: synthesis of cyclopentanone and cyclohexanone intermediates for C-ring modification. Bioorg Med Chem Lett 17:4824-8 (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:
BDBM19982
Synonyms:
(2R,6S,7R)-4,4-difluoro-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0.0^{2,6}]trideca-1(9),10,12-trien-12-ol | BMCL175563 Compound 3a | C-ring modified benzopyran scaffold, 2b
Type:
Small organic molecule
Emp. Form.:
C18H16F2O3
Mol. Mass.:
318.3146
SMILES:
Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CC(F)(F)C[C@H]12 |r|
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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