Reaction Details | |||
---|---|---|---|
Report a problem with these data | |||
Target | Vitamin D3 receptor | ||
Ligand | BDBM50544028 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1991216 (CHEMBL4624951) | ||
IC50 | 1449±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: |
| ||
BDBM50544028 | |||
n/a | |||
Name | BDBM50544028 | ||
Synonyms: | CHEMBL4641017 | ||
Type | Small organic molecule | ||
Emp. Form. | C33H31Cl2N3O4 | ||
Mol. Mass. | 604.523 | ||
SMILES | CC(C)c1onc(c1COc1ccc(cc1)-c1nc2ccc(cc2n1C1CCCCC1)C(O)=O)-c1c(Cl)cccc1Cl |(36.9,-33.77,;37.52,-32.36,;39.05,-32.2,;36.62,-31.12,;35.08,-31.12,;34.6,-29.65,;35.85,-28.74,;37.09,-29.65,;38.56,-29.17,;39.7,-30.2,;41.17,-29.73,;42.31,-30.76,;43.77,-30.29,;44.1,-28.78,;42.94,-27.74,;41.48,-28.23,;45.56,-28.3,;46.8,-29.2,;48.05,-28.29,;49.54,-28.61,;50.57,-27.46,;50.09,-26,;48.59,-25.69,;47.57,-26.83,;46.03,-26.84,;45.12,-25.59,;45.75,-24.18,;44.85,-22.94,;43.31,-23.09,;42.69,-24.51,;43.59,-25.76,;51.11,-24.85,;52.62,-25.16,;50.63,-23.38,;35.84,-27.2,;37.18,-26.43,;38.51,-27.2,;37.17,-24.88,;35.83,-24.11,;34.5,-24.88,;34.5,-26.43,;33.17,-27.2,)| | ||
Structure |