BDBM50302066 6-((2S,5S,8S,11S)-2-(3-guanidinopropyl)-11-isobutyl-8-(naphthalen-1-ylmethyl)-3,6,9,13-tetraoxo-1,4,7,10-tetraazacyclotridecan-5-yl)hexanoic acid::CHEMBL569306

SMILES [#6]-[#6](-[#6])-[#6]-[#6@H]-1-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c2cccc3ccccc23)-[#6](=O)-[#7]-1

InChI Key InChIKey=BVNIJRQIGKWFPM-UHFFFAOYSA-N

Data  4 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50302066   

TargetHistone deacetylase 1(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50302066(6-((2S,5S,8S,11S)-2-(3-guanidinopropyl)-11-isobuty...)
Affinity DataIC50: 178nMAssay Description:Inhibition of human recombinant HDAC1 after 30 mins by fluorimetric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/26/2012
Entry Details Article
PubMed
TargetHistone deacetylase 3(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50302066(6-((2S,5S,8S,11S)-2-(3-guanidinopropyl)-11-isobuty...)
Affinity DataIC50: 262nMAssay Description:Inhibition of human recombinant HDAC3 after 30 mins by fluorimetric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/26/2012
Entry Details Article
PubMed
TargetHistone deacetylase 8(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50302066(6-((2S,5S,8S,11S)-2-(3-guanidinopropyl)-11-isobuty...)
Affinity DataIC50: 607nMAssay Description:Inhibition of human recombinant HDAC8 after 30 mins by fluorimetric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/26/2012
Entry Details Article
PubMed
TargetHistone deacetylase 6(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50302066(6-((2S,5S,8S,11S)-2-(3-guanidinopropyl)-11-isobuty...)
Affinity DataIC50: 1.40E+3nMAssay Description:Inhibition of human recombinant HDAC6 after 30 mins by fluorimetric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/26/2012
Entry Details Article
PubMed