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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Vitamin D3 receptor | ||
| Ligand | BDBM50544021 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1991216 (CHEMBL4624951) | ||
| IC50 | 2414±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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| BDBM50544021 | |||
| n/a | |||
| Name | BDBM50544021 | ||
| Synonyms: | CHEMBL4647755 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C33H24Cl2FN3O4 | ||
| Mol. Mass. | 616.466 | ||
| SMILES | CC(C)c1onc(c1COc1ccc(cc1)-c1nc2ccc(cc2n1-c1ccc(F)cc1)C(O)=O)-c1c(Cl)cccc1Cl |(9.29,-32.89,;9.91,-31.48,;11.44,-31.32,;9.01,-30.24,;7.47,-30.24,;7,-28.78,;8.24,-27.87,;9.49,-28.78,;10.95,-28.29,;12.1,-29.33,;13.56,-28.85,;14.71,-29.88,;16.16,-29.41,;16.49,-27.9,;15.33,-26.87,;13.87,-27.35,;17.95,-27.43,;19.19,-28.33,;20.44,-27.42,;21.94,-27.73,;22.96,-26.59,;22.48,-25.12,;20.98,-24.82,;19.97,-25.96,;18.42,-25.96,;17.51,-24.71,;18.15,-23.31,;17.24,-22.06,;15.7,-22.22,;14.8,-20.99,;15.08,-23.64,;15.99,-24.88,;23.5,-23.97,;25.01,-24.29,;23.02,-22.51,;8.23,-26.33,;9.57,-25.55,;10.9,-26.32,;9.56,-24,;8.23,-23.24,;6.89,-24.01,;6.89,-25.55,;5.56,-26.32,)| | ||
| Structure | 
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