| Reaction Details |
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 | Report a problem with these data |
| Target | Retinoic acid receptor RXR-alpha/RXR-beta/RXR-gamma |
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| Ligand | BDBM50533807 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1927274 (CHEMBL4430346) |
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| EC50 | 296±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 |
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| Synonyms: | Retinoid X 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 1935812 |
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| Components: | This complex has 3 components. |
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| Component 1 |
| Name: | Retinoic acid receptor RXR-beta |
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| Synonyms: | NR2B2 | Nuclear receptor subfamily 2 group B member 2 | RXRB | RXRB_HUMAN | Retinoic acid receptor RXR-beta | Retinoid X receptor beta | Retinoid receptor |
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| Type: | PROTEIN |
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| Mol. Mass.: | 56932.89 |
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| Organism: | Homo sapiens (Human) |
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| Description: | ChEMBL_39045 |
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| Residue: | 533 |
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| Sequence: | MSWAARPPFLPQRHAAGQCGPVGVRKEMHCGVASRWRRRRPWLDPAAAAAAAVAGGEQQT
PEPEPGEAGRDGMGDSGRDSRSPDSSSPNPLPQGVPPPSPPGPPLPPSTAPSLGGSGAPP
PPPMPPPPLGSPFPVISSSMGSPGLPPPAPPGFSGPVSSPQINSTVSLPGGGSGPPEDVK
PPVLGVRGLHCPPPPGGPGAGKRLCAICGDRSSGKHYGVYSCEGCKGFFKRTIRKDLTYS
CRDNKDCTVDKRQRNRCQYCRYQKCLATGMKREAVQEERQRGKDKDGDGEGAGGAPEEMP
VDRILEAELAVEQKSDQGVEGPGGTGGSGSSPNDPVTNICQAADKQLFTLVEWAKRIPHF
SSLPLDDQVILLRAGWNELLIASFSHRSIDVRDGILLATGLHVHRNSAHSAGVGAIFDRV
LTELVSKMRDMRMDKTELGCLRAIILFNPDAKGLSNPSEVEVLREKVYASLETYCKQKYP
EQQGRFAKLLLRLPALRSIGLKCLEHLFFFKLIGDTPIDTFLMEMLEAPHQLA
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| Component 2 |
| Name: | Retinoic acid receptor RXR-gamma |
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| 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 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 50878.26 |
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| Organism: | Homo sapiens (Human) |
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| Description: | ChEMBL_197216 |
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| Residue: | 463 |
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| Sequence: | MYGNYSHFMKFPAGYGGSPGHTGSTSMSPSAALSTGKPMDSHPSYTDTPVSAPRTLSAVG
TPLNALGSPYRVITSAMGPPSGALAAPPGINLVAPPSSQLNVVNSVSSSEDIKPLPGLPG
IGNMNYPSTSPGSLVKHICAICGDRSSGKHYGVYSCEGCKGFFKRTIRKDLIYTCRDNKD
CLIDKRQRNRCQYCRYQKCLVMGMKREAVQEERQRSRERAESEAECATSGHEDMPVERIL
EAELAVEPKTESYGDMNMENSTNDPVTNICHAADKQLFTLVEWAKRIPHFSDLTLEDQVI
LLRAGWNELLIASFSHRSVSVQDGILLATGLHVHRSSAHSAGVGSIFDRVLTELVSKMKD
MQMDKSELGCLRAIVLFNPDAKGLSNPSEVETLREKVYATLEAYTKQKYPEQPGRFAKLL
LRLPALRSIGLKCLEHLFFFKLIGDTPIDTFLMEMLETPLQIT
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| Component 3 |
| 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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| BDBM50533807 |
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| n/a |
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| Name | BDBM50533807 |
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| Synonyms: | CHEMBL4440825 |
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| Type | Small organic molecule |
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| Emp. Form. | C22H29N3O2 |
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| Mol. Mass. | 367.4846 |
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| SMILES | CCN(c1cnc(cn1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C |
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| Structure | 
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