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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Vitamin D3 receptor | ||
| Ligand | BDBM50544027 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1991216 (CHEMBL4624951) | ||
| IC50 | 929±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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| BDBM50544027 | |||
| n/a | |||
| Name | BDBM50544027 | ||
| Synonyms: | CHEMBL4640340 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C32H29Cl2N3O4 | ||
| Mol. Mass. | 590.496 | ||
| SMILES | CC(C)c1onc(c1COc1ccc(cc1)-c1nc2ccc(cc2n1C1CCCC1)C(O)=O)-c1c(Cl)cccc1Cl |(8.55,-32.97,;9.17,-31.57,;10.7,-31.41,;8.27,-30.33,;6.73,-30.33,;6.25,-28.86,;7.49,-27.95,;8.74,-28.86,;10.21,-28.38,;11.35,-29.41,;12.82,-28.94,;13.96,-29.97,;15.42,-29.5,;15.75,-27.99,;14.59,-26.95,;13.13,-27.44,;17.21,-27.51,;18.45,-28.41,;19.7,-27.5,;21.19,-27.82,;22.22,-26.67,;21.74,-25.21,;20.24,-24.9,;19.22,-26.04,;17.68,-26.05,;16.77,-24.8,;17.24,-23.33,;15.99,-22.43,;14.74,-23.34,;15.22,-24.8,;22.76,-24.06,;24.27,-24.37,;22.27,-22.59,;7.49,-26.41,;8.82,-25.64,;10.16,-26.41,;8.82,-24.08,;7.48,-23.32,;6.15,-24.09,;6.15,-25.64,;4.82,-26.41,)| | ||
| Structure | 
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