BDBM50320748 CHEMBL1164243::N-((R)-5-((1R,3aS,7aR,E)-4-(2-((3R,5R)-3,5-Dihydroxycycloheptylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)hexyl)methanesulfamide

SMILES [#6]-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]S([#7])(=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=LOCGBKCIQGOTKO-YLPIWGMZSA-N

Data  3 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 3 hits for monomerid = 50320748   

TargetHistone deacetylase 3(Homo sapiens (Human))
Mcgill University

Curated by ChEMBL
LigandPNGBDBM50320748(CHEMBL1164243 | N-((R)-5-((1R,3aS,7aR,E)-4-(2-((3R...)
Affinity DataIC50:  6.05E+5nMAssay Description:Inhibition of HDAC3 after 10 mins by fluorometric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVitamin D3 receptor(Homo sapiens (Human))
Mcgill University

Curated by ChEMBL
LigandPNGBDBM50320748(CHEMBL1164243 | N-((R)-5-((1R,3aS,7aR,E)-4-(2-((3R...)
Affinity DataIC50:  196nMAssay Description:Binding affinity to VDR ligand binding domain by fluorescence polarization competition assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 6(Homo sapiens (Human))
Mcgill University

Curated by ChEMBL
LigandPNGBDBM50320748(CHEMBL1164243 | N-((R)-5-((1R,3aS,7aR,E)-4-(2-((3R...)
Affinity DataIC50:  3.16E+4nMAssay Description:Inhibition of HDAC6 after 10 mins by fluorometric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed