Reaction Details |
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Target | Vitamin D3 receptor |
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Ligand | BDBM50015317 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1350556 (CHEMBL3270480) |
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IC50 | 13±n/a nM |
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Citation | Kudo, T; Ishizawa, M; Maekawa, K; Nakabayashi, M; Watarai, Y; Uchida, H; Tokiwa, H; Ikura, T; Ito, N; Makishima, M; Yamada, S Combination of triple bond and adamantane ring on the vitamin D side chain produced partial agonists for vitamin D receptor. J Med Chem57:4073-87 (2014) [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 |
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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BDBM50015317 |
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n/a |
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Name | BDBM50015317 |
Synonyms: | CHEMBL3263872 |
Type | Small organic molecule |
Emp. Form. | C36H52O3 |
Mol. Mass. | 532.7963 |
SMILES | [H][C@@]1([#6]-[#6][C@@]2([H])\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1)[#6@H](-[#6])-[#6]C#C[#6@H](-[#8])-[#6]C12[#6]-[#6]-3-[#6]-[#6](-[#6]-[#6](-[#6]-3)-[#6]1)-[#6]2 |r,THB:36:35:32:38.37.39,36:37:34.35.40:32,39:37:34:40.31.32,39:31:34:38.36.37,30:31:34:38.36.37| |
Structure |
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