| Reaction Details |
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 | Report a problem with these data |
| Target | Estrogen receptor beta |
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| Ligand | BDBM19441 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_66548 (CHEMBL677815) |
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| IC50 | 1.9±n/a nM |
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| Citation |  Rosati, RL; Da Silva Jardine, P; Cameron, KO; Thompson, DD; Ke, HZ; Toler, SM; Brown, TA; Pan, LC; Ebbinghaus, CF; Reinhold, AR; Elliott, NC; Newhouse, BN; Tjoa, CM; Sweetnam, PM; Cole, MJ; Arriola, MW; Gauthier, JW; Crawford, DT; Nickerson, DF; Pirie, CM; Qi, H; Simmons, HA; Tkalcevic, GT Discovery and preclinical pharmacology of a novel, potent, nonsteroidal estrogen receptor agonist/antagonist, CP-336156, a diaryltetrahydronaphthalene. J Med Chem41:2928-31 (1998) [PubMed] Article |
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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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| BDBM19441 |
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| n/a |
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| Name | BDBM19441 |
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| Synonyms: | 2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethoxy]phenyl}carbonyl)-1-benzothiophen-6-ol | CHEMBL81 | Evista | Keoxifene | RALOXIFENE HYDROCHLORIDE | Raloxifene | Raloxifene (7) | Raloxifene, 6 | [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone | cid_11071264 |
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| Type | Small organic molecule |
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| Emp. Form. | C28H27NO4S |
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| Mol. Mass. | 473.583 |
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| SMILES | Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1 |
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| Structure | 
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