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Target
Vitamin D3 receptor
Ligand
BDBM50320744
Substrate
n/a
Meas. Tech.
ChEMBL_639139 (CHEMBL1167400)
IC50
14±n/a nM
Citation
 Lamblin, M; Dabbas, B; Spingarn, R; Mendoza-Sanchez, R; Wang, TT; An, BS; Huang, DC; Kremer, R; White, JH; Gleason, JL Vitamin D receptor agonist/histone deacetylase inhibitor molecular hybrids. Bioorg Med Chem 18:4119-37 (2010) [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:
BDBM50320744
Synonyms:
CHEMBL1164227 | N-((R)-5-((1R,3aS,7aR,E)-4-(2-((3R,5R)-3,5-Dihydroxycyclohexylidene)ethylidene)-7a-methyl-octahydro-1H-inden-1-yl)hexyl)trifluoromethanesulfonamide
Type:
Small organic molecule
Emp. Form.:
C25H40F3NO4S
Mol. Mass.:
507.65
SMILES:
[#6]-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7]S(=O)(=O)C(F)(F)F)-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6]-[#6@H](-[#8])-[#6]-1 |r|
Structure:
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