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Enter Data
| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Vitamin D3 receptor | ||
| Ligand | BDBM50544018 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1991216 (CHEMBL4624951) | ||
| IC50 | 861±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: |
| ||
| BDBM50544018 | |||
| n/a | |||
| Name | BDBM50544018 | ||
| Synonyms: | CHEMBL4632780 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C32H31Cl2N3O4 | ||
| Mol. Mass. | 592.512 | ||
| SMILES | CC(C)c1onc(c1COc1ccc(cc1)-c1nc2ccc(cc2n1CC(C)(C)C)C(O)=O)-c1c(Cl)cccc1Cl |(67.86,-53.83,;68.48,-52.42,;70.01,-52.26,;67.58,-51.18,;66.04,-51.18,;65.56,-49.71,;66.8,-48.8,;68.05,-49.71,;69.52,-49.23,;70.67,-50.26,;72.13,-49.79,;73.28,-50.82,;74.74,-50.35,;75.06,-48.84,;73.91,-47.8,;72.45,-48.29,;76.53,-48.36,;77.77,-49.26,;79.02,-48.35,;80.52,-48.67,;81.54,-47.52,;81.06,-46.06,;79.56,-45.75,;78.54,-46.89,;77,-46.89,;76.09,-45.65,;76.71,-44.24,;75.81,-43,;78.24,-44.08,;77.46,-42.91,;82.08,-44.9,;83.59,-45.22,;81.6,-43.44,;66.8,-47.26,;68.14,-46.48,;69.47,-47.26,;68.13,-44.93,;66.79,-44.17,;65.46,-44.94,;65.46,-46.48,;64.13,-47.26,)| | ||
| Structure | 
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