Reaction Details Report a problem with these data
Target
Vitamin D3 receptor
Ligand
BDBM50182484
Substrate
n/a
Meas. Tech.
ChEMBL_332707 (CHEMBL859065)
IC50
50±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:
BDBM50182484
Synonyms:
(1R,3R)-5-{2-[1-((1R,5S)-5-adamantan-1-yl-5-hydroxy-1-methyl-pent-2-enyl)-7a-methyl-octahydro-inden-4-ylidene]-ethylidene}-cyclohexane-1,3-diol | CHEMBL202613
Type:
Small organic molecule
Emp. Form.:
C34H52O3
Mol. Mass.:
508.7749
SMILES:
[#6]-[#6@H](\[#6]=[#6]\[#6]-[#6@H](-[#8])C12[#6]-[#6]-3-[#6]-[#6](-[#6]-[#6](-[#6]-3)-[#6]1)-[#6]2)-[#6]1-[#6]-[#6]-[#6]2\[#6](-[#6]-[#6]-[#6]C12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6]-[#6@H](-[#8])-[#6]-1 |TLB:10:11:9.14.8:15,THB:12:11:8:14.13.15,12:13:10.11.16:8,10:9:11.12.16:15|
Structure:
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