Reaction Details | |||
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Target | Vitamin D3 receptor | ||
Ligand | BDBM50544013 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1991216 (CHEMBL4624951) | ||
IC50 | 5688±n/a nM | ||
Citation | Masuda, A; Gohda, K; Iguchi, Y; Fujimori, K; Yamashita, Y; Oda, K; Une, M; Teno, N N Bioorg Med Chem28:0 (2020) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Vitamin D3 receptor | |||
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: |
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BDBM50544013 | |||
n/a | |||
Name | BDBM50544013 | ||
Synonyms: | CHEMBL4638567 | ||
Type | Small organic molecule | ||
Emp. Form. | C32H31Cl2N3O4 | ||
Mol. Mass. | 592.512 | ||
SMILES | CCC(CC)n1c(nc2ccc(cc12)C(O)=O)-c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C(C)C)cc1 |(71.43,-43.38,;72.33,-44.62,;73.86,-44.45,;74.48,-43.05,;73.57,-41.81,;74.77,-45.7,;74.3,-47.17,;75.54,-48.07,;76.78,-47.16,;78.28,-47.47,;79.31,-46.33,;78.83,-44.86,;77.33,-44.56,;76.31,-45.7,;79.85,-43.71,;81.36,-44.03,;79.37,-42.25,;72.83,-47.65,;72.5,-49.16,;71.05,-49.63,;69.9,-48.6,;68.44,-49.07,;67.29,-48.04,;65.82,-48.52,;65.35,-49.99,;63.81,-49.99,;63.33,-48.52,;64.57,-47.61,;64.56,-46.07,;65.9,-45.29,;67.24,-46.06,;65.9,-43.74,;64.56,-42.98,;63.23,-43.75,;63.23,-45.29,;61.9,-46.07,;66.25,-51.23,;65.62,-52.64,;67.78,-51.07,;70.22,-47.1,;71.68,-46.61,)| | ||
Structure |