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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Vitamin D3 receptor | ||
| Ligand | BDBM50544024 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1991216 (CHEMBL4624951) | ||
| IC50 | 1013±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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| BDBM50544024 | |||
| n/a | |||
| Name | BDBM50544024 | ||
| Synonyms: | CHEMBL4637878 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C32H30Cl3N3O4 | ||
| Mol. Mass. | 626.957 | ||
| SMILES | CCC(CC)n1c(nc2ccc(cc12)C(O)=O)-c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C(C)C)cc1Cl |(15.67,-43.63,;16.57,-44.87,;18.1,-44.71,;18.72,-43.31,;17.81,-42.07,;19.01,-45.96,;18.53,-47.42,;19.78,-48.32,;21.02,-47.42,;22.52,-47.73,;23.55,-46.58,;23.07,-45.12,;21.57,-44.81,;20.55,-45.95,;24.09,-43.97,;25.6,-44.28,;23.6,-42.5,;17.07,-47.9,;16.74,-49.41,;15.28,-49.88,;14.14,-48.85,;12.67,-49.33,;11.53,-48.29,;10.06,-48.77,;9.58,-50.24,;8.04,-50.24,;7.57,-48.77,;8.81,-47.86,;8.8,-46.32,;10.14,-45.55,;11.48,-46.32,;10.14,-43.99,;8.8,-43.23,;7.47,-44,;7.46,-45.55,;6.14,-46.32,;10.49,-51.48,;9.86,-52.89,;12.02,-51.32,;14.45,-47.35,;15.91,-46.87,;16.23,-45.36,)| | ||
| Structure | 
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