| Reaction Details |
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 | Report a problem with these data |
| Target | Estrogen receptor beta |
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| Ligand | BDBM50225310 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_66552 (CHEMBL677819) |
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| Kd | 160±n/a nM |
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| Citation |  Pillai, KM; Murray, WV; Shooshani, I; Williams, DL; Gordon, D; Wang, SY; Johnson, F Steroids. 2. Synthesis of C-18 functionalized steroids via the Smith-Hughes route. J Med Chem27:1131-7 (1984) [PubMed] |
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| More Info.: | Get all data from this article, Assay Method |
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| Estrogen receptor beta |
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| Name: | Estrogen receptor beta |
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| Synonyms: | Estrogen receptor |
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| Type: | n/a |
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| Mol. Mass.: | n/a |
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| Description: | ASSAY_ID of ChEMBL is 66549 |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | Estrogen receptor |
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| Synonyms: | ESR1_RAT | Esr | Esr1 | Estr | Nr3a1 | estrogen alpha |
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| Type: | Enzyme Catalytic Domain |
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| Mol. Mass.: | 67045.89 |
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| Organism: | RAT |
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| Description: | estrogen alpha 0 RAT::P06211 |
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| Residue: | 600 |
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| Sequence: | MTMTLHTKASGMALLHQIQGNELEPLNRPQLKMPMERALGEVYVDNSKPAVFNYPEGAAY
EFNAAAAAAAAGASAPVYGQSSITYGPGSEAAAFGANSLGAFPQLNSVSPSPLMLLHPPP
HVSPFLHPHGHQVPYYLENEPSAYAVRDTGPPAFYRSNSDNRRQNGRERLSSSSEKGNMI
MESAKETRYCAVCNDYASGYHYGVWSCEGCKAFFKRSIQGHNDYMCPATNQCTIDKNRRK
SCQACRLRKCYEVGMMKGGIRKDRRGGRMLKHKRQRDDLEGRNEMGTSGDMRAANLWPSP
LVIKHTKKNSPALSLTADQMVSALLDAEPPLIYSEYDPSRPFSEASMMGLLTNLADRELV
HMINWAKRVPGFGDLNLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQG
KCVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHI
HRVLDKINDTLIHLMAKAGLTLQQQHRRLAQLLLILSHIRHMSNKGMEHLYNMKCKNVVP
LYDLLLEMLDAHRLHAPASRMGVPPEEPSQSQLTTTSSTSAHSLQTYYIPPEAEGFPNTI
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| Component 2 |
| Name: | Estrogen receptor beta |
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| Synonyms: | ESR2_RAT | Erbeta | Esr2 | Estrogen receptor | Estrogen receptor beta | Nr3a2 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 59173.80 |
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| Organism: | Rattus norvegicus |
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| Description: | ChEMBL_803011 |
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| Residue: | 530 |
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| Sequence: | MEIKNSPSSLSSPASYNCSQSILPLEHGPIYIPSSYVDNRHEYSAMTFYSPAVMNYSVPG
STSNLDGGPVRLSTSPNVLWPTSGHLSPLATHCQSSLLYAEPQKSPWCEARSLEHTLPVN
RETLKRKLSGSSCASPVTSPNAKRDAHFCPVCSDYASGYHYGVWSCEGCKAFFKRSIQGH
NDYICPATNQCTIDKNRRKSCQACRLRKCYEVGMVKCGSRRERCGYRIVRRQRSSSEQVH
CLSKAKRNGGHAPRVKELLLSTLSPEQLVLTLLEAEPPNVLVSRPSMPFTEASMMMSLTK
LADKELVHMIGWAKKIPGFVELSLLDQVRLLESCWMEVLMVGLMWRSIDHPGKLIFAPDL
VLDRDEGKCVEGILEIFDMLLATTSRFRELKLQHKEYLCVKAMILLNSSMYPLASANQEA
ESSRKLTHLLNAVTDALVWVIAKSGISSQQQSVRLANLLMLLSHVRHISNKGMEHLLSMK
CKNVVPVYDLLLEMLNAHTLRGYKSSISGSECSSTEDSKNKESSQNLQSQ
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| BDBM50225310 |
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| n/a |
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| Name | BDBM50225310 |
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| Synonyms: | CHEMBL1794824 |
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| Type | Small organic molecule |
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| Emp. Form. | C40H52O4 |
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| Mol. Mass. | 596.8385 |
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| SMILES | [H][C@](O)(C#C)C12CCCC1C1CCC3=CC(=O)CC[C@]3([H])C1CC2.[H][C@@](O)(C#C)C12CCCC1C1CCC3=CC(=O)CC[C@]3([H])C1CC2 |t:14,41| |
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| Structure | 
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