Reaction Details |
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Target | Retinoic acid receptor RXR-alpha/RXR-beta/RXR-gamma |
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Ligand | BDBM50533810 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1927274 (CHEMBL4430346) |
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EC50 | 126±n/a nM |
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Citation | Heck, MC; Wagner, CE; Shahani, PH; MacNeill, M; Grozic, A; Darwaiz, T; Shimabuku, M; Deans, DG; Robinson, NM; Salama, SH; Ziller, JW; Ma, N; van der Vaart, A; Marshall, PA; Jurutka, PW Modeling, Synthesis, and Biological Evaluation of Potential Retinoid X Receptor (RXR)-Selective Agonists: Analogues of 4-[1-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-2-naphthyl)ethynyl]benzoic Acid (Bexarotene) and 6-(Ethyl(5,5,8,8-tetrahydronaphthalen-2-yl)amino)nicotinic Acid (NEt-TMN). J Med Chem59:8924-8940 (2016) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Retinoic acid receptor RXR-alpha/RXR-beta/RXR-gamma |
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Name: | Retinoic acid receptor RXR-alpha/RXR-beta/RXR-gamma |
Synonyms: | Retinoid X receptor |
Type: | n/a |
Mol. Mass.: | n/a |
Description: | ASSAY_ID of ChEMBL is 1935812 |
Components: | This complex has 3 components. |
Component 1 |
Name: | Retinoic acid receptor RXR-beta |
Synonyms: | NR2B2 | Nuclear receptor subfamily 2 group B member 2 | RXRB | RXRB_HUMAN | Retinoic acid receptor RXR-beta | Retinoid X receptor beta | Retinoid receptor |
Type: | PROTEIN |
Mol. Mass.: | 56932.89 |
Organism: | Homo sapiens (Human) |
Description: | ChEMBL_39045 |
Residue: | 533 |
Sequence: | MSWAARPPFLPQRHAAGQCGPVGVRKEMHCGVASRWRRRRPWLDPAAAAAAAVAGGEQQT
PEPEPGEAGRDGMGDSGRDSRSPDSSSPNPLPQGVPPPSPPGPPLPPSTAPSLGGSGAPP
PPPMPPPPLGSPFPVISSSMGSPGLPPPAPPGFSGPVSSPQINSTVSLPGGGSGPPEDVK
PPVLGVRGLHCPPPPGGPGAGKRLCAICGDRSSGKHYGVYSCEGCKGFFKRTIRKDLTYS
CRDNKDCTVDKRQRNRCQYCRYQKCLATGMKREAVQEERQRGKDKDGDGEGAGGAPEEMP
VDRILEAELAVEQKSDQGVEGPGGTGGSGSSPNDPVTNICQAADKQLFTLVEWAKRIPHF
SSLPLDDQVILLRAGWNELLIASFSHRSIDVRDGILLATGLHVHRNSAHSAGVGAIFDRV
LTELVSKMRDMRMDKTELGCLRAIILFNPDAKGLSNPSEVEVLREKVYASLETYCKQKYP
EQQGRFAKLLLRLPALRSIGLKCLEHLFFFKLIGDTPIDTFLMEMLEAPHQLA
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Component 2 |
Name: | Retinoic acid receptor RXR-gamma |
Synonyms: | NR2B3 | Nuclear receptor subfamily 2 group B member 3 | RXRG | RXRG_HUMAN | Retinoic acid receptor RXR-gamma | Retinoid X receptor gamma | Retinoid X receptor gamma/retinoic acid receptor alpha |
Type: | PROTEIN |
Mol. Mass.: | 50878.26 |
Organism: | Homo sapiens (Human) |
Description: | ChEMBL_197216 |
Residue: | 463 |
Sequence: | MYGNYSHFMKFPAGYGGSPGHTGSTSMSPSAALSTGKPMDSHPSYTDTPVSAPRTLSAVG
TPLNALGSPYRVITSAMGPPSGALAAPPGINLVAPPSSQLNVVNSVSSSEDIKPLPGLPG
IGNMNYPSTSPGSLVKHICAICGDRSSGKHYGVYSCEGCKGFFKRTIRKDLIYTCRDNKD
CLIDKRQRNRCQYCRYQKCLVMGMKREAVQEERQRSRERAESEAECATSGHEDMPVERIL
EAELAVEPKTESYGDMNMENSTNDPVTNICHAADKQLFTLVEWAKRIPHFSDLTLEDQVI
LLRAGWNELLIASFSHRSVSVQDGILLATGLHVHRSSAHSAGVGSIFDRVLTELVSKMKD
MQMDKSELGCLRAIVLFNPDAKGLSNPSEVETLREKVYATLEAYTKQKYPEQPGRFAKLL
LRLPALRSIGLKCLEHLFFFKLIGDTPIDTFLMEMLETPLQIT
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Component 3 |
Name: | Retinoic acid receptor RXR-alpha |
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 |
Type: | PROTEIN |
Mol. Mass.: | 50820.38 |
Organism: | Homo sapiens (Human) |
Description: | ChEMBL_1456363 |
Residue: | 462 |
Sequence: | MDTKHFLPLDFSTQVNSSLTSPTGRGSMAAPSLHPSLGPGIGSPGQLHSPISTLSSPING
MGPPFSVISSPMGPHSMSVPTTPTLGFSTGSPQLSSPMNPVSSSEDIKPPLGLNGVLKVP
AHPSGNMASFTKHICAICGDRSSGKHYGVYSCEGCKGFFKRTVRKDLTYTCRDNKDCLID
KRQRNRCQYCRYQKCLAMGMKREAVQEERQRGKDRNENEVESTSSANEDMPVERILEAEL
AVEPKTETYVEANMGLNPSSPNDPVTNICQAADKQLFTLVEWAKRIPHFSELPLDDQVIL
LRAGWNELLIASFSHRSIAVKDGILLATGLHVHRNSAHSAGVGAIFDRVLTELVSKMRDM
QMDKTELGCLRAIVLFNPDSKGLSNPAEVEALREKVYASLEAYCKHKYPEQPGRFAKLLL
RLPALRSIGLKCLEHLFFFKLIGDTPIDTFLMEMLEAPHQMT
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BDBM50533810 |
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n/a |
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Name | BDBM50533810 |
Synonyms: | CHEMBL4560758 |
Type | Small organic molecule |
Emp. Form. | C23H28FNO2 |
Mol. Mass. | 369.4723 |
SMILES | CCN(c1ccc(C(O)=O)c(F)c1)c1ccc2c(c1)C(C)(C)CCC2(C)C |
Structure |
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