BDBM50238632 (6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H-indol-3-ylmethyl)-12-(6-oxo-octyl)-decahydro-4a,7,10,13-tetraaza-benzocyclododecene-5,8,11,14-tetraone::CHEMBL430060::ChEMBL_275631

SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O

InChI Key InChIKey=JWOGUUIOCYMBPV-GMFLJSBRSA-N

Data  4 KI  41 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 7 hits for monomerid = 50238632   

TargetHistone deacetylase 6(Human)
The Broad Institute of Harvard and Mit

Curated by ChEMBL
LigandPNGBDBM50238632((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...)
Affinity DataKi:  123nMAssay Description:Displacement of fluorescent 5-(3-(3-(4-((4-((7-(hydroxyamino)-7-oxoheptyl)carbamoyl)phenylamino)methyl)-1H-1,2,3-triazol-1-yl)propyl)thioureido)-2-(3...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 6(Human)
The Broad Institute of Harvard and Mit

Curated by ChEMBL
LigandPNGBDBM50238632((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of human recombinant HDAC6 using Ac-Lys(Ac)-7-amino-4-methylcoumarin as substrate after 30 mins by trypsin-coupled fluorogenic assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 6(Human)
The Broad Institute of Harvard and Mit

Curated by ChEMBL
LigandPNGBDBM50238632((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of human recombinant HDAC6 after 30 mins by fluorimetric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 6(Human)
The Broad Institute of Harvard and Mit

Curated by ChEMBL
LigandPNGBDBM50238632((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...)
Affinity DataIC50:  665nMAssay Description:Displacement of fluorescent 5-(3-(3-(4-((4-((7-(hydroxyamino)-7-oxoheptyl)carbamoyl)phenylamino)methyl)-1H-1,2,3-triazol-1-yl)propyl)thioureido)-2-(3...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 6(Human)
The Broad Institute of Harvard and Mit

Curated by ChEMBL
LigandPNGBDBM50238632((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...)
Affinity DataIC50:  9.60E+3nMAssay Description:Inhibition of HDAC6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 6(Human)
The Broad Institute of Harvard and Mit

Curated by ChEMBL
LigandPNGBDBM50238632((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of HDAC6 in human HeLa cells nuclear extract using Fluor-de-Lys as substrate after 30 mins by spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 6(Human)
The Broad Institute of Harvard and Mit

Curated by ChEMBL
LigandPNGBDBM50238632((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of HDAC6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed