Reaction Details Report a problem with these data
Target
Vitamin D3 receptor
Ligand
BDBM50329706
Substrate
n/a
Meas. Tech.
ChEMBL_1882362 (CHEMBL4383861)
EC50
0.040000±n/a nM
Citation
 Misawa, T; Tsuji, G; Takahashi, T; Ochiai, E; Takagi, KI; Horie, K; Kakuda, S; Takimoto-Kamimura, M; Kurihara, M; Demizu, Y Structural development of non-secosteroidal vitamin D receptor (VDR) ligands without any asymmetric carbon. Bioorg Med Chem 26:6146-6152 (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:
BDBM50329706
Synonyms:
(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)propyl]-2-methylphenoxy}propane-1,2-diol | (S)-3-(4-(3-(4-((R)-2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl)pentan-3-yl)-2-methylphenoxy)propane-1,2-diol | CHEMBL272304
Type:
Small organic molecule
Emp. Form.:
C28H42O5
Mol. Mass.:
n/a
SMILES:
CCC(CC)(c1ccc(c(c1)C)OC[C@H](CO)O)c2ccc(c(c2)C)OC[C@@H](C(C)(C)C)O
Structure:
Search PDB for entries with ligand similarity: