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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Vitamin D3 receptor | ||
| Ligand | BDBM50544034 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1991216 (CHEMBL4624951) | ||
| IC50 | 2454±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: |
| ||
| BDBM50544034 | |||
| n/a | |||
| Name | BDBM50544034 | ||
| Synonyms: | CHEMBL4642141 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C28H22Cl3N3O4 | ||
| Mol. Mass. | 570.851 | ||
| SMILES | CC(C)c1onc(c1COc1ccc(cc1Cl)-c1nc2ccc(cc2n1C)C(O)=O)-c1c(Cl)cccc1Cl |(6.58,-31.57,;7.2,-30.16,;8.74,-30,;6.3,-28.92,;4.76,-28.92,;4.29,-27.45,;5.53,-26.55,;6.78,-27.45,;8.24,-26.97,;9.39,-28.01,;10.85,-27.53,;12,-28.56,;13.45,-28.09,;13.78,-26.58,;12.63,-25.55,;11.17,-26.03,;10.02,-25,;15.24,-26.1,;16.49,-27,;17.73,-26.1,;19.23,-26.41,;20.26,-25.27,;19.77,-23.8,;18.28,-23.5,;17.26,-24.64,;15.72,-24.64,;14.81,-23.39,;20.79,-22.65,;22.3,-22.97,;20.31,-21.19,;5.52,-25,;6.86,-24.23,;8.2,-25,;6.85,-22.68,;5.52,-21.92,;4.19,-22.68,;4.18,-24.23,;2.86,-25,)| | ||
| Structure | 
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