BDBM50320742 CHEMBL1164225::N-((R)-4-((1R,3aS,7aR,E)-4-(2-((3R,5R)-3,5-Dihydroxycyclohexylidene)ethylidene)-7a-methyl-octahydro-1H-inden-1-yl)pentyl)methanesulfonamide

SMILES [#6]-[#6@H](-[#6]-[#6]-[#6]-[#7]S([#6])(=O)=O)-[#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=MADACMQUPHBGPS-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50320742   

TargetVitamin D3 receptor(Human)
Mcgill University

Curated by ChEMBL
LigandPNGBDBM50320742(N-((R)-4-((1R,3aS,7aR,E)-4-(2-((3R,5R)-3,5-Dihydro...)
Affinity DataIC50: 213nMAssay Description:Binding affinity to VDR ligand binding domain by fluorescence polarization competition assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetHistone deacetylase 6(Human)
Mcgill University

Curated by ChEMBL
LigandPNGBDBM50320742(N-((R)-4-((1R,3aS,7aR,E)-4-(2-((3R,5R)-3,5-Dihydro...)
Affinity DataIC50: 7.13E+4nMAssay Description:Inhibition of HDAC6 after 10 mins by fluorometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetHistone deacetylase 3(Human)
Mcgill University

Curated by ChEMBL
LigandPNGBDBM50320742(N-((R)-4-((1R,3aS,7aR,E)-4-(2-((3R,5R)-3,5-Dihydro...)
Affinity DataIC50: 7.30E+5nMAssay Description:Inhibition of HDAC3 after 10 mins by fluorometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed