Reaction Details Report a problem with these data
Target
Vitamin D3 receptor
Ligand
BDBM50182485
Substrate
n/a
Meas. Tech.
ChEMBL_332706 (CHEMBL858933)
IC50
300±n/a nM
Citation
 Yamamoto, K; Abe, D; Yoshimoto, N; Choi, M; Yamagishi, K; Tokiwa, H; Shimizu, M; Makishima, M; Yamada, S Vitamin D receptor: ligand recognition and allosteric network. J Med Chem 49:1313-24 (2006) [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:
BDBM50182485
Synonyms:
(S)-5-((R)-2-(4-(2-((3R,5R)-3,5-dihydroxy-4-methylenecyclohexylidene)ethylidene)-7a-methyl-octahydro-1H-inden-1-yl)propyl)-3-methylene-dihydrofuran-2(3H)-one | CHEMBL380811
Type:
Small organic molecule
Emp. Form.:
C27H38O4
Mol. Mass.:
426.5882
SMILES:
[#6]-[#6@H](-[#6]-[#6@H]-1-[#6]-[#6](=[#6])-[#6](=O)-[#8]-1)-[#6]1-[#6]-[#6]-[#6]2\[#6](-[#6]-[#6]-[#6]C12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1
Structure:
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