Reaction Details Report a problem with these data
Target
Vitamin D3 receptor
Ligand
BDBM50320735
Substrate
n/a
Meas. Tech.
ChEMBL_639139 (CHEMBL1167400)
IC50
87±n/a nM
Citation
 Lamblin, M; Dabbas, B; Spingarn, R; Mendoza-Sanchez, R; Wang, TT; An, BS; Huang, DC; Kremer, R; White, JH; Gleason, JL Vitamin D receptor agonist/histone deacetylase inhibitor molecular hybrids. Bioorg Med Chem 18:4119-37 (2010) [PubMed]  Article 
Target
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:
MEAMAASTSLPDPGDFDRNVPRICGVCGDRATGFHFNAMTCEGCKGFFRRSMKRKALFTCPFNGDCRITKDNRRHCQACRLKRCVDIGMMKEFILTDEEVQRKREMILKRKEEEALKDSLRPKLSEEQQRIIAILLDAHHKTYDPTYSDFCQFRPPVRVNDGGGSHPSRPNSRHTPSFSGDSSSSCSDHCITSSDMMDSSSFSNLDLSEEDSDDPSVTLELSQLSMLPHLADLVSYSIQKVIGFAKMIPGFRDLTSEDQIVLLKSSAIEVIMLRSNESFTMDDMSWTCGNQDYKYRVSDVTKAGHSLELIEPLIKFQVGLKKLNLHEEEHVLLMAICIVSPDRPGVQDAALIEAIQDRLSNTLQTYIRCRHPPPGSHLLYAKMIQKLADLRSLNEEHSKQYRCLSFQPECSMKLTPLVLEVFGNEIS
  
Inhibitor
Name:
BDBM50320735
Synonyms:
CHEMBL1164992 | triciferol
Type:
Small organic molecule
Emp. Form.:
C26H39NO4
Mol. Mass.:
429.5922
SMILES:
C[C@H](\C=C(/C)\C=C\C(=O)NO)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1/C[C@@H](O)C[C@@H](O)C1 |r|
Structure:
Search PDB for entries with ligand similarity: