| Reaction Details |
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 | Report a problem with these data |
| Target | Vitamin D3 receptor |
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| Ligand | BDBM34717 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_834857 (CHEMBL2073174) |
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| IC50 | 6800±n/a nM |
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| Citation |  Nandhikonda, P; Lynt, WZ; McCallum, MM; Ara, T; Baranowski, AM; Yuan, NY; Pearson, D; Bikle, DD; Guy, RK; Arnold, LA Discovery of the first irreversible small molecule inhibitors of the interaction between the vitamin D receptor and coactivators. J Med Chem55:4640-51 (2012) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Vitamin D3 receptor |
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| Name: | Vitamin D3 receptor |
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| 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 |
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| Type: | Protein |
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| Mol. Mass.: | 48288.72 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P11473 |
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| Residue: | 427 |
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| Sequence: | MEAMAASTSLPDPGDFDRNVPRICGVCGDRATGFHFNAMTCEGCKGFFRRSMKRKALFTC
PFNGDCRITKDNRRHCQACRLKRCVDIGMMKEFILTDEEVQRKREMILKRKEEEALKDSL
RPKLSEEQQRIIAILLDAHHKTYDPTYSDFCQFRPPVRVNDGGGSHPSRPNSRHTPSFSG
DSSSSCSDHCITSSDMMDSSSFSNLDLSEEDSDDPSVTLELSQLSMLPHLADLVSYSIQK
VIGFAKMIPGFRDLTSEDQIVLLKSSAIEVIMLRSNESFTMDDMSWTCGNQDYKYRVSDV
TKAGHSLELIEPLIKFQVGLKKLNLHEEEHVLLMAICIVSPDRPGVQDAALIEAIQDRLS
NTLQTYIRCRHPPPGSHLLYAKMIQKLADLRSLNEEHSKQYRCLSFQPECSMKLTPLVLE
VFGNEIS
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| BDBM34717 |
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| n/a |
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| Name | BDBM34717 |
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| Synonyms: | 2-[(E)-2-(4-hydroxyphenyl)ethenyl]-1,3,3-trimethyl-5-indol-1-iumcarboxylic acid methyl ester;iodide | 2-[(E)-2-(4-hydroxyphenyl)vinyl]-1,3,3-trimethyl-indol-1-ium-5-carboxylic acid methyl ester;iodide | CHEMBL1626334 | MLS000521447 | SMR000131855 | cid_11957207 | methyl 2-[(E)-2-(4-hydroxyphenyl)ethenyl]-1,3,3-trimethyl-indol-1-ium-5-carboxylate;iodide | methyl 2-[(E)-2-(4-hydroxyphenyl)ethenyl]-1,3,3-trimethylindol-1-ium-5-carboxylate;iodide |
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| Type | Small organic molecule |
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| Emp. Form. | C21H22NO3 |
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| Mol. Mass. | 336.4037 |
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| SMILES | COC(=O)c1ccc2c(c1)C(C)(C)C(\C=C\c1ccc(O)cc1)=[N+]2C |c:24| |
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| Structure | 
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