Reaction Details |
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Target | Retinoic acid receptor RXR-alpha/Vitamin D3 receptor |
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Ligand | BDBM50200182 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1803410 (CHEMBL4275702) |
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EC50 | 1.6±n/a nM |
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Citation | Kang, ZS; Wang, C; Han, XL; Wang, B; Yuan, HL; Hou, SY; Hao, MX; Du, JJ; Li, YY; Zhou, AW; Zhang, C Sulfonyl-containing phenyl-pyrrolyl pentane analogues: Novel non-secosteroidal vitamin D receptor modulators with favorable physicochemical properties, pharmacokinetic properties and anti-tumor activity. Eur J Med Chem157:1174-1191 (2018) [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/Vitamin D3 receptor |
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Name: | Retinoic acid receptor RXR-alpha/Vitamin D3 receptor |
Synonyms: | n/a |
Type: | n/a |
Mol. Mass.: | n/a |
Description: | ASSAY_ID of ChEMBL is 1803410 |
Components: | This complex has 2 components. |
Component 1 |
Name: | Vitamin D3 receptor |
Synonyms: | 1,25-dihydroxyvitamin D3 receptor | NR1I1 | Nuclear receptor subfamily 1 group I member 1 | Retinoic acid receptor RXR-alpha/Vitamin D3 receptor | VDR | VDR_HUMAN |
Type: | Protein |
Mol. Mass.: | 48288.72 |
Organism: | Homo sapiens (Human) |
Description: | P11473 |
Residue: | 427 |
Sequence: | MEAMAASTSLPDPGDFDRNVPRICGVCGDRATGFHFNAMTCEGCKGFFRRSMKRKALFTC
PFNGDCRITKDNRRHCQACRLKRCVDIGMMKEFILTDEEVQRKREMILKRKEEEALKDSL
RPKLSEEQQRIIAILLDAHHKTYDPTYSDFCQFRPPVRVNDGGGSHPSRPNSRHTPSFSG
DSSSSCSDHCITSSDMMDSSSFSNLDLSEEDSDDPSVTLELSQLSMLPHLADLVSYSIQK
VIGFAKMIPGFRDLTSEDQIVLLKSSAIEVIMLRSNESFTMDDMSWTCGNQDYKYRVSDV
TKAGHSLELIEPLIKFQVGLKKLNLHEEEHVLLMAICIVSPDRPGVQDAALIEAIQDRLS
NTLQTYIRCRHPPPGSHLLYAKMIQKLADLRSLNEEHSKQYRCLSFQPECSMKLTPLVLE
VFGNEIS
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Component 2 |
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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BDBM50200182 |
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n/a |
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Name | BDBM50200182 |
Synonyms: | (1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol | (1S,3R,5Z,7E)-9,10-secocholesta-5,7,10-triene-1,3,25-triol | (1alpha,3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol | (5Z,7E)-(1S,3R)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol | 1,25-DHCC | 1alpha,25(OH)2D3 | 1alpha,25-dihydroxycholecalciferol | 1alpha,25-dihydroxyvitamin D3 | CALCITRIOL | CHEMBL846 |
Type | Small organic molecule |
Emp. Form. | C27H44O3 |
Mol. Mass. | 416.6365 |
SMILES | C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r| |
Structure |
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