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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Vitamin D3 receptor | ||
| Ligand | BDBM50544033 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1991216 (CHEMBL4624951) | ||
| IC50 | 4408±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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| BDBM50544033 | |||
| n/a | |||
| Name | BDBM50544033 | ||
| Synonyms: | CHEMBL4632854 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C28H23Cl2N3O4 | ||
| Mol. Mass. | 536.406 | ||
| SMILES | CC(C)c1onc(c1COc1ccc(cc1)-c1nc2cc(ccc2n1C)C(O)=O)-c1c(Cl)cccc1Cl |(66.09,-12.42,;66.72,-11.01,;68.25,-10.85,;65.82,-9.77,;64.28,-9.77,;63.79,-8.3,;65.04,-7.4,;66.29,-8.3,;67.76,-7.83,;68.9,-8.86,;70.37,-8.38,;71.5,-9.42,;72.97,-8.94,;73.3,-7.44,;72.14,-6.4,;70.68,-6.88,;74.75,-6.95,;76,-7.86,;77.24,-6.94,;78.74,-7.26,;79.77,-6.12,;79.28,-4.66,;77.78,-4.35,;76.77,-5.48,;75.23,-5.48,;74.32,-4.25,;81.28,-6.43,;82.3,-5.28,;81.76,-7.9,;65.03,-5.86,;66.37,-5.08,;67.71,-5.85,;66.37,-3.53,;65.03,-2.77,;63.7,-3.54,;63.7,-5.08,;62.36,-5.86,)| | ||
| Structure | 
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