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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Vitamin D3 receptor | ||
| Ligand | BDBM50244164 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_491881 (CHEMBL946411) | ||
| EC50 | 0.027000±n/a nM | ||
| Citation |  Shimizu, M; Miyamoto, Y; Takaku, H; Matsuo, M; Nakabayashi, M; Masuno, H; Udagawa, N; DeLuca, HF; Ikura, T; Ito, N 2-Substituted-16-ene-22-thia-1alpha,25-dihydroxy-26,27-dimethyl-19-norvitamin D3 analogs: Synthesis, biological evaluation, and crystal structure. Bioorg Med Chem16:6949-64 (2008) [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 | VDR_MOUSE | Vdr | Vitamin D receptor | Vitamin D3 receptor | ||
| Type: | PROTEIN | ||
| Mol. Mass.: | 47830.18 | ||
| Organism: | Mus musculus | ||
| Description: | ChEMBL_491881 | ||
| Residue: | 422 | ||
| Sequence: |
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| BDBM50244164 | |||
| n/a | |||
| Name | BDBM50244164 | ||
| Synonyms: | (20S)-1-alpha-25-Dihydroxy-2-alpha-(2-hydroxyethoxy)-16-ene-22-thia-26,27-dimethyl-19,24-dinorvitamin D3 | CHEMBL514600 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C28H46O5S | ||
| Mol. Mass. | 494.727 | ||
| SMILES | CCC(O)(CC)CS[C@@H](C)C1=CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(OCCO)[C@H](O)C1 |r,wU:18.20,24.26,13.12,wD:8.8,31.33,t:10,(-2.98,-21.45,;-4.09,-22.51,;-3.73,-24.01,;-2.25,-23.6,;-3.37,-25.51,;-1.89,-25.94,;-5.24,-24.32,;-6.26,-23.17,;-7.77,-23.48,;-8.79,-22.33,;-8.26,-24.94,;-7.36,-26.19,;-8.27,-27.42,;-9.73,-26.94,;-11.05,-27.7,;-12.4,-26.94,;-12.39,-25.39,;-11.05,-24.63,;-9.72,-25.4,;-9.73,-23.86,;-11.05,-29.24,;-12.4,-30.01,;-12.4,-31.55,;-11.05,-32.33,;-11.05,-33.87,;-9.72,-34.64,;-12.4,-34.63,;-12.4,-36.17,;-11.05,-36.94,;-9.72,-36.17,;-8.38,-36.94,;-13.71,-33.87,;-15.06,-34.64,;-13.71,-32.33,)| | ||
| Structure | 
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