Reaction Details Report a problem with these data
Target
Vitamin D3 receptor
Ligand
BDBM50565950
Substrate
n/a
Meas. Tech.
ChEMBL_2094257 (CHEMBL4775520)
EC50
0.150±n/a nM
Citation
 Sasaki, H; Masuno, H; Kawasaki, H; Yoshihara, A; Numoto, N; Ito, N; Ishida, H; Yamamoto, K; Hirata, N; Kanda, Y; Kawachi, E; Kagechika, H; Tanatani, A Lithocholic Acid Derivatives as Potent Vitamin D Receptor Agonists. J Med Chem 64:516-526 (2021) [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:
BDBM50565950
Synonyms:
CHEMBL4776651
Type:
Small organic molecule
Emp. Form.:
C28H48O3
Mol. Mass.:
432.6789
SMILES:
[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](CC(C)(C)O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O |r|
Structure:
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