Reaction Details | |||
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Target | Vitamin D3 receptor | ||
Ligand | BDBM50544016 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1991216 (CHEMBL4624951) | ||
IC50 | 921±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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BDBM50544016 | |||
n/a | |||
Name | BDBM50544016 | ||
Synonyms: | CHEMBL4647235 | ||
Type | Small organic molecule | ||
Emp. Form. | C34H33Cl2N3O4 | ||
Mol. Mass. | 618.55 | ||
SMILES | CC(C)c1onc(c1COc1ccc(cc1)-c1nc2ccc(cc2n1C1CCCCCC1)C(O)=O)-c1c(Cl)cccc1Cl |(67.23,-33.83,;67.86,-32.42,;69.39,-32.26,;66.96,-31.18,;65.41,-31.18,;64.94,-29.71,;66.18,-28.8,;67.43,-29.71,;68.89,-29.23,;70.04,-30.26,;71.51,-29.79,;72.65,-30.82,;74.11,-30.35,;74.43,-28.84,;73.28,-27.8,;71.82,-28.29,;75.9,-28.36,;77.14,-29.26,;78.38,-28.35,;79.88,-28.67,;80.91,-27.52,;80.42,-26.06,;78.93,-25.75,;77.91,-26.89,;76.37,-26.9,;75.46,-25.65,;73.95,-25.93,;72.78,-24.92,;72.84,-23.38,;74.08,-22.47,;75.58,-22.87,;76.19,-24.29,;81.44,-24.91,;82.95,-25.22,;80.96,-23.44,;66.17,-27.26,;67.51,-26.49,;68.85,-27.26,;67.51,-24.94,;66.17,-24.18,;64.84,-24.94,;64.84,-26.49,;63.51,-27.26,)| | ||
Structure |