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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Vitamin D3 receptor | ||
| Ligand | BDBM50544011 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1991216 (CHEMBL4624951) | ||
| IC50 | 1401±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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| BDBM50544011 | |||
| n/a | |||
| Name | BDBM50544011 | ||
| Synonyms: | CHEMBL4636869 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C30H27Cl2N3O4 | ||
| Mol. Mass. | 564.459 | ||
| SMILES | CCCn1c(nc2ccc(cc12)C(O)=O)-c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C(C)C)cc1 |(14.96,-41.67,;15.87,-42.9,;15.24,-44.31,;16.16,-45.56,;15.68,-47.02,;16.93,-47.92,;18.17,-47.01,;19.67,-47.33,;20.7,-46.18,;20.22,-44.72,;18.72,-44.41,;17.7,-45.55,;21.24,-43.56,;22.75,-43.88,;20.75,-42.1,;14.22,-47.5,;13.89,-49.01,;12.43,-49.48,;11.29,-48.45,;9.82,-48.93,;8.67,-47.89,;7.21,-48.37,;6.73,-49.84,;5.19,-49.84,;4.72,-48.37,;5.96,-47.46,;5.95,-45.92,;7.29,-45.15,;8.63,-45.92,;7.28,-43.59,;5.95,-42.83,;4.62,-43.6,;4.61,-45.15,;3.28,-45.92,;7.64,-51.08,;7.01,-52.49,;9.17,-50.92,;11.6,-46.95,;13.06,-46.46,)| | ||
| Structure | 
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