Reaction Details Report a problem with these data
Target
Vitamin D3 receptor
Ligand
BDBM50589996
Substrate
n/a
Meas. Tech.
ChEMBL_2194677 (CHEMBL5107037)
IC50
15.7±n/a nM
Citation
 Seoane, S; Gogoi, P; Zárate-Ruíz, A; Peluso-Iltis, C; Peters, S; Guiberteau, T; Maestro, MA; Pérez-Fernández, R; Rochel, N; Mouriño, A Design, Synthesis, Biological Activity, and Structural Analysis of Novel Des-C-Ring and Aromatic-D-Ring Analogues of 1?,25-Dihydroxyvitamin D J Med Chem 65:13112-13124 (2022) [PubMed] 
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:
BDBM50589996
Synonyms:
CHEMBL5182683
Type:
Small organic molecule
Emp. Form.:
C32H50O4
Mol. Mass.:
498.737
SMILES:
CC(C)(O)CCCCCc1cc(CCCCCC(C)(C)O)cc(\C=C\C=C2\C[C@@H](O)C[C@H](O)C2=C)c1 |r|
Structure:
Search PDB for entries with ligand similarity: