Reaction Details Report a problem with these data
Target
Vitamin D3 receptor
Ligand
BDBM50521021
Substrate
n/a
Meas. Tech.
ChEMBL_1882835 (CHEMBL4384334)
EC50
>10000±n/a nM
Citation
 Maschinot, CA; Chau, LQ; Wechsler-Reya, RJ; Hadden, MK Synthesis and evaluation of third generation vitamin D3 analogues as inhibitors of Hedgehog signaling. Eur J Med Chem 162:495-506 (2019) [PubMed]  Article 
Target
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:
MEAMAASTSLPDPGDFDRNVPRICGVCGDRATGFHFNAMTCEGCKGFFRRSMKRKALFTCPFNGDCRITKDNRRHCQACRLKRCVDIGMMKEFILTDEEVQRKREMIMKRKEEEALKDSLRPKLSEEQQHIIAILLDAHHKTYDPTYADFRDFRPPIRADVSTGSYSPRPTLSFSGDSSSNSDLYTPSLDMMEPASFSTMDLNEEGSDDPSVTLDLSPLSMLPHLADLVSYSIQKVIGFAKMIPGFRDLTSDDQIVLLKSSAIEVIMLRSNQSFTLDDMSWDCGSQDYKYDITDVSRAGHTLELIEPLIKFQVGLKKLNLHEEEHVLLMAICIVSPDRPGVQDAKLVEAIQDRLSNTLQTYIRCRHPPPGSHQLYAKMIQKLADLRSLNEEHSKQYRSLSFQPENSMKLTPLVLEVFGNEIS
  
Inhibitor
Name:
BDBM50521021
Synonyms:
CHEMBL4439766
Type:
Small organic molecule
Emp. Form.:
C26H40O4
Mol. Mass.:
416.5934
SMILES:
[H][C@@]1(CC[C@@]2([H])[C@H](CCC[C@]12C)OC(=O)c1cccc(O)c1)[C@H](C)CCCC(C)(C)OC |r|
Structure:
Search PDB for entries with ligand similarity: