BDBM50329614 (6R)-N-(2-aminophenyl)-6-((1R,7aR)-4-(2-((3R,5S)-3,5-dihydroxycyclohexylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)-4-methylhepta-2,4-dienamide::CHEMBL1271042

SMILES [#6]-[#6@H](\[#6]=[#6](/[#6])\[#6]=[#6]\[#6](=O)-[#7]-c1ccccc1-[#7])-[#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

InChI Key InChIKey=CQUJTFOUKFAURA-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50329614   

TargetVitamin D3 receptor(Human)
Mcgill University

Curated by ChEMBL
LigandPNGBDBM50329614((6R)-N-(2-aminophenyl)-6-((1R,7aR)-4-(2-((3R,5S)-3...)
Affinity DataIC50: 107nMAssay Description:Binding affinity to VDR-LBD by fluorescence polarization competition assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2011
Entry Details Article
PubMed