| Reaction Details |
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 | Report a problem with these data |
| Target | Peroxisome proliferator-activated receptor gamma/Retinoic acid receptor RXR-alpha |
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| Ligand | BDBM50129720 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_164867 (CHEMBL772126) |
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| EC50 | 3.1±n/a nM |
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| Citation |  Gernert, DL; Ajamie, R; Ardecky, RA; Bell, MG; Leibowitz, MD; Mais, DA; Mapes, CM; Michellys, PY; Rungta, D; Reifel-Miller, A; Tyhonas, JS; Yumibe, N; Grese, TA Design and synthesis of fluorinated RXR modulators. Bioorg Med Chem Lett13:3191-5 (2003) [PubMed] |
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| More Info.: | Get all data from this article, Assay Method |
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| Peroxisome proliferator-activated receptor gamma/Retinoic acid receptor RXR-alpha |
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| Name: | Peroxisome proliferator-activated receptor gamma/Retinoic acid receptor RXR-alpha |
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| Synonyms: | Peroxisome Proliferator-Activated Receptor gamma/Retinoid X receptor alpha | RXR alpha/PPAR gamma |
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| Type: | n/a |
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| Mol. Mass.: | n/a |
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| Description: | ASSAY_ID of EBI is 43803 |
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| Components: | This complex has 3 components. |
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| Component 1 |
| Name: | Peroxisome proliferator-activated receptor gamma |
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| Synonyms: | NR1C3 | Nuclear receptor subfamily 1 group C member 3 | PPAR-gamma | PPARG | PPARG_HUMAN | Peroxisome proliferator-activated receptor | Peroxisome proliferator-activated receptor gamma (PPAR gamma) | Peroxisome proliferator-activated receptor gamma (PPARG) | Peroxisome proliferator-activated receptor gamma (PPARĪ³) | Peroxisome proliferator-activated receptor gamma/Nuclear receptor corepressor 2 | peroxisome proliferator-activated receptor gamma isoform 2 |
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| Type: | Nuclear Receptor |
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| Mol. Mass.: | 57613.46 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P37231 |
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| Residue: | 505 |
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| Sequence: | MGETLGDSPIDPESDSFTDTLSANISQEMTMVDTEMPFWPTNFGISSVDLSVMEDHSHSF
DIKPFTTVDFSSISTPHYEDIPFTRTDPVVADYKYDLKLQEYQSAIKVEPASPPYYSEKT
QLYNKPHEEPSNSLMAIECRVCGDKASGFHYGVHACEGCKGFFRRTIRLKLIYDRCDLNC
RIHKKSRNKCQYCRFQKCLAVGMSHNAIRFGRMPQAEKEKLLAEISSDIDQLNPESADLR
ALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMNSLMMGEDKIKFKHITPLQE
QSKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLAS
LMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVII
LSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQL
LQVIKKTETDMSLHPLLQEIYKDLY
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| Component 2 |
| Name: | Retinoic acid receptor RXR-alpha |
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| Synonyms: | NR2B1 | Nuclear receptor subfamily 2 group B member 1 | Nuclear receptor subfamily 4 group A member 2 | Nuclear receptor subfamily 4 group A member 2/Retinoic acid receptor RXR-alpha | RXRA | RXRA_HUMAN | Retinoic acid receptor RXR-alpha/gamma | Retinoid X receptor alpha | Retinoid receptor |
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| Type: | PROTEIN |
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| Mol. Mass.: | 50820.38 |
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| Organism: | Homo sapiens (Human) |
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| Description: | ChEMBL_1456363 |
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| Residue: | 462 |
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| Sequence: | MDTKHFLPLDFSTQVNSSLTSPTGRGSMAAPSLHPSLGPGIGSPGQLHSPISTLSSPING
MGPPFSVISSPMGPHSMSVPTTPTLGFSTGSPQLSSPMNPVSSSEDIKPPLGLNGVLKVP
AHPSGNMASFTKHICAICGDRSSGKHYGVYSCEGCKGFFKRTVRKDLTYTCRDNKDCLID
KRQRNRCQYCRYQKCLAMGMKREAVQEERQRGKDRNENEVESTSSANEDMPVERILEAEL
AVEPKTETYVEANMGLNPSSPNDPVTNICQAADKQLFTLVEWAKRIPHFSELPLDDQVIL
LRAGWNELLIASFSHRSIAVKDGILLATGLHVHRNSAHSAGVGAIFDRVLTELVSKMRDM
QMDKTELGCLRAIVLFNPDSKGLSNPAEVEALREKVYASLEAYCKHKYPEQPGRFAKLLL
RLPALRSIGLKCLEHLFFFKLIGDTPIDTFLMEMLEAPHQMT
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| BDBM50129720 |
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| n/a |
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| Name | BDBM50129720 |
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| Synonyms: | (2E,4E,6Z)-7-[3,5-Di-tert-butyl-2-(2,2-difluoro-ethoxy)-phenyl]-3-methyl-octa-2,4,6-trienoic acid | 7-[3,5-Di-tert-butyl-2-(2,2-difluoro-ethoxy)-phenyl]-3-methyl-octa-2,4,6-trienoic acid | CHEMBL42314 |
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| Type | Small organic molecule |
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| Emp. Form. | C25H34F2O3 |
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| Mol. Mass. | 420.5325 |
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| SMILES | C\C(\C=C\C=C(\C)c1cc(cc(c1OCC(F)F)C(C)(C)C)C(C)(C)C)=C/C(O)=O |
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| Structure | 
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