Reaction Details Report a problem with these data
Target
Vitamin D3 receptor
Ligand
BDBM50281390
Substrate
n/a
Meas. Tech.
ChEMBL_1722803 (CHEMBL4137803)
EC50
0.140000±n/a nM
Citation
 Otero, R; Ishizawa, M; Numoto, N; Ikura, T; Ito, N; Tokiwa, H; Mouriño, A; Makishima, M; Yamada, S 25 S-Adamantyl-23-yne-26,27-dinor-1α,25-dihydroxyvitamin D J Med Chem 61:6658-6673 (2018) [PubMed]  Article 
Target
Name:
Vitamin D3 receptor
Synonyms:
1,25-dihydroxyvitamin D3 receptor | Nuclear receptor subfamily 1 group I member 1 | Retinoic acid receptor RXR-alpha/Vitamin D3 receptor | VDR_HUMAN | VDR | NR1I1
Type:
Protein
Mol. Mass.:
48288.72
Organism:
Human
Description:
P11473
Residue:
427
Sequence:
MEAMAASTSLPDPGDFDRNVPRICGVCGDRATGFHFNAMTCEGCKGFFRRSMKRKALFTCPFNGDCRITKDNRRHCQACRLKRCVDIGMMKEFILTDEEVQRKREMILKRKEEEALKDSLRPKLSEEQQRIIAILLDAHHKTYDPTYSDFCQFRPPVRVNDGGGSHPSRPNSRHTPSFSGDSSSSCSDHCITSSDMMDSSSFSNLDLSEEDSDDPSVTLELSQLSMLPHLADLVSYSIQKVIGFAKMIPGFRDLTSEDQIVLLKSSAIEVIMLRSNESFTMDDMSWTCGNQDYKYRVSDVTKAGHSLELIEPLIKFQVGLKKLNLHEEEHVLLMAICIVSPDRPGVQDAALIEAIQDRLSNTLQTYIRCRHPPPGSHLLYAKMIQKLADLRSLNEEHSKQYRCLSFQPECSMKLTPLVLEVFGNEIS
  
Inhibitor
Name:
BDBM50281390
Synonyms:
CHEMBL4159525
Type:
Small organic molecule
Emp. Form.:
C35H50O3
Mol. Mass.:
518.78
SMILES:
C[C@H](CC#C[C@H](C12CC3CC(C1)CC(C3)C2)O)[C@H]4CC[C@@H]\5[C@@]4(CCC/C5=C\C=C/6\C[C@H](C[C@@H](C6=C)O)O)C
Structure:
Search PDB for entries with ligand similarity: