Reaction Details Report a problem with these data
Target
Vitamin D3 receptor
Ligand
BDBM50293274
Substrate
n/a
Meas. Tech.
ChEMBL_562894 (CHEMBL1018831)
EC50
0.69±n/a nM
Citation
 Laverny, G; Penna, G; Uskokovic, M; Marczak, S; Maehr, H; Jankowski, P; Ceailles, C; Vouros, P; Smith, B; Robinson, M; Reddy, GS; Adorini, L Synthesis and anti-inflammatory properties of 1alpha,25-dihydroxy-16-ene-20-cyclopropyl-24-oxo-vitamin D3, a hypocalcemic, stable metabolite of 1alpha,25-dihydroxy-16-ene-20-cyclopropyl-vitamin D3. J Med Chem 52:2204-13 (2009) [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:
BDBM50293274
Synonyms:
1alpha,25(OH)2-24-oxo-16-ene-20-cyclopropyl-vitamin D3 | CHEMBL492749
Type:
Small organic molecule
Emp. Form.:
C28H40O4
Mol. Mass.:
440.6148
SMILES:
CC(C)(O)C(=O)CCC1(CC1)C1=CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r,t:12|
Structure:
Search PDB for entries with ligand similarity: