Reaction Details Report a problem with these data
Target
Estrogen receptor
Ligand
BDBM19968
Substrate
17beta-estradiol (E2)
Meas. Tech.
Estrogen Receptor Binding Assay and Cell-Based Transcriptional Assay
pH
7.5±n/a
Temperature
295.15±n/a K
Ki
2.68±0.21 nM
EC50
19.4±1.13 nM
Comments
Efficacy=94%
Citation
 Norman, BH; Dodge, JA; Richardson, TI; Borromeo, PS; Lugar, CW; Jones, SA; Chen, K; Wang, Y; Durst, GL; Barr, RJ; Montrose-Rafizadeh, C; Osborne, HE; Amos, RM; Guo, S; Boodhoo, A; Krishnan, V Benzopyrans are selective estrogen receptor beta agonists with novel activity in models of benign prostatic hyperplasia. J Med Chem 49:6155-7 (2006) [PubMed]  Article 
Target
Name:
Estrogen receptor
Synonyms:
ER | ER-alpha | ESR | ESR1 | ESR1_HUMAN | Estradiol receptor | Estrogen receptor | Estrogen receptor (ER alpha) | Estrogen receptor (ER-alpha) | Estrogen receptor alpha (ER alpha) | Estrogen receptor alpha (ER) | NR3A1 | Nuclear receptor subfamily 3 group A member 1
Type:
Protein
Mol. Mass.:
66230.44
Organism:
Homo sapiens (Human)
Description:
P03372
Residue:
595
Sequence:
MTMTLHTKASGMALLHQIQGNELEPLNRPQLKIPLERPLGEVYLDSSKPAVYNYPEGAAYEFNAAAAANAQVYGQTGLPYGPGSEAAAFGSNGLGGFPPLNSVSPSPLMLLHPPPQLSPFLQPHGQQVPYYLENEPSGYTVREAGPPAFYRPNSDNRRQGGRERLASTNDKGSMAMESAKETRYCAVCNDYASGYHYGVWSCEGCKAFFKRSIQGHNDYMCPATNQCTIDKNRRKSCQACRLRKCYEVGMMKGGIRKDRRGGRMLKHKRQRDDGEGRGEVGSAGDMRAANLWPSPLMIKRSKKNSLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMINWAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKCVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPLYDLLLEMLDAHRLHAPTSRGGASVEETDQSHLATAGSTSSHSLQKYYITGEAEGFPATV
  
Inhibitor
Name:
BDBM19968
Synonyms:
(2R,6S,7R)-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0.0^{2,6}]trideca-1(13),9,11-trien-12-ol | (2R,6S,7R)-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0.0^{2,6}]trideca-1(9),10,12-trien-12-ol | Benzopyran derivative., 4b(racemate) | SERBA-1 | racemic mixture
Type:
Small organic molecule
Emp. Form.:
C18H18O3
Mol. Mass.:
282.3337
SMILES:
Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CCC[C@H]12 |r|
Structure:
Search PDB for entries with ligand similarity:
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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