| Reaction Details |
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 | Report a problem with these data |
| Target | Estrogen receptor beta |
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| Ligand | BDBM19456 |
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| Substrate/Competitor | 17beta-estradiol (E2) |
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| Meas. Tech. | Estrogen Receptor Binding and Transcription Activation Assay |
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| pH | 7.5±n/a |
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| Temperature | 273.15±n/a K |
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| Ki | 178±n/a nM |
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| EC50 | 250±n/a nM |
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| Comments | RBA=0.28 +/- 0.06 %. EC50/IC50 was measured from the antagonist profile. |
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| 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 Chem50:399-403 (2007) [PubMed] Article |
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| More Info.: | Get all data from this article, Inhibition_Run data, Solution Info, Assay Method |
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| Estrogen receptor beta |
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| Name: | Estrogen receptor beta |
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| 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 |
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| Type: | Protein |
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| Mol. Mass.: | 59238.43 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Q92731 |
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| Residue: | 530 |
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| Sequence: | MDIKNSPSSLNSPSSYNCSQSILPLEHGSIYIPSSYVDSHHEYPAMTFYSPAVMNYSIPS
NVTNLEGGPGRQTTSPNVLWPTPGHLSPLVVHRQLSHLYAEPQKSPWCEARSLEHTLPVN
RETLKRKVSGNRCASPVTGPGSKRDAHFCAVCSDYASGYHYGVWSCEGCKAFFKRSIQGH
NDYICPATNQCTIDKNRRKSCQACRLRKCYEVGMVKCGSRRERCGYRLVRRQRSADEQLH
CAGKAKRSGGHAPRVRELLLDALSPEQLVLTLLEAEPPHVLISRPSAPFTEASMMMSLTK
LADKELVHMISWAKKIPGFVELSLFDQVRLLESCWMEVLMMGLMWRSIDHPGKLIFAPDL
VLDRDEGKCVEGILEIFDMLLATTSRFRELKLQHKEYLCVKAMILLNSSMYPLVTATQDA
DSSRKLAHLLNAVTDALVWVIAKSGISSQQQSMRLANLLMLLSHVRHASNKGMEHLLNMK
CKNVVPVYDLLLEMLNAHVLRGCKSSITGSECSPAEDSKSKEGSQNPQSQ
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| BDBM19456 |
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| 17beta-estradiol (E2) |
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| Name | BDBM19456 |
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| Synonyms: | 4-(3-{4-[2-(dimethylamino)ethoxy]phenyl}-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl)phenol | Pyrazolo[1,5-a]pyrimidine, 12b |
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| Type | Small organic molecule |
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| Emp. Form. | C24H20F6N4O2 |
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| Mol. Mass. | 510.4316 |
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| SMILES | CN(C)CCOc1ccc(cc1)-c1c(nn2c(cc(nc12)C(F)(F)F)C(F)(F)F)-c1ccc(O)cc1 |
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| Structure | 
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