Reaction Details | |||
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Target | Vitamin D3 receptor | ||
Ligand | BDBM50244240 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_491881 (CHEMBL946411) | ||
EC50 | 0.026000±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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BDBM50244240 | |||
n/a | |||
Name | BDBM50244240 | ||
Synonyms: | (20S)-(2E)-1-alpha-25-Dihydroxy-2-[2-(hydroxy)-ethylidene]-16-ene-22-thia-26,27-dimethyl-19,24-dinorvitamin D3 | CHEMBL472510 | ||
Type | Small organic molecule | ||
Emp. Form. | C28H44O4S | ||
Mol. Mass. | 476.712 | ||
SMILES | CCC(O)(CC)CS[C@@H](C)C1=CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(=CCO)[C@H](O)C1 |r,wU:13.12,30.32,18.20,wD:24.26,8.8,t:10,(-.33,6.64,;-1.45,5.59,;-1.09,4.09,;.39,4.5,;-.73,2.59,;.75,2.16,;-2.6,3.77,;-3.62,4.92,;-5.13,4.61,;-6.16,5.76,;-5.61,3.15,;-4.72,1.9,;-5.62,.66,;-7.08,1.15,;-8.41,.37,;-9.75,1.14,;-9.74,2.69,;-8.41,3.46,;-7.07,2.68,;-7.09,4.22,;-8.41,-1.17,;-9.75,-1.94,;-9.75,-3.48,;-11.08,-4.25,;-11.08,-5.79,;-12.42,-6.57,;-9.75,-6.56,;-9.75,-8.1,;-11.08,-8.87,;-12.43,-8.1,;-8.42,-5.79,;-7.08,-6.57,;-8.42,-4.25,)| | ||
Structure |