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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Vitamin D3 receptor | ||
| Ligand | BDBM50544035 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1991216 (CHEMBL4624951) | ||
| IC50 | 3519±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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| BDBM50544035 | |||
| n/a | |||
| Name | BDBM50544035 | ||
| Synonyms: | CHEMBL4643503 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C28H22Cl3N3O4 | ||
| Mol. Mass. | 570.851 | ||
| SMILES | CC(C)c1onc(c1COc1ccc(-c2nc3ccc(cc3n2C)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |(35.35,-31.89,;35.97,-30.48,;37.51,-30.32,;35.07,-29.24,;33.53,-29.24,;33.06,-27.77,;34.3,-26.86,;35.55,-27.77,;37.01,-27.29,;38.16,-28.32,;39.62,-27.85,;40.77,-28.88,;42.22,-28.41,;42.55,-26.9,;44.01,-26.42,;45.26,-27.32,;46.5,-26.41,;48,-26.73,;49.03,-25.58,;48.54,-24.12,;47.05,-23.81,;46.03,-24.95,;44.49,-24.96,;43.58,-23.71,;49.56,-22.97,;51.07,-23.28,;49.08,-21.5,;41.4,-25.86,;41.71,-24.36,;39.94,-26.35,;34.29,-25.32,;35.63,-24.55,;36.97,-25.32,;35.62,-23,;34.29,-22.23,;32.96,-23,;32.95,-24.55,;31.63,-25.32,)| | ||
| Structure | 
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