BDBM198122 HC toxin

SMILES C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCCC(=O)[C@@H]2CO2)NC(=O)[C@@H](C)NC1=O

InChI Key InChIKey=GNYCTMYOHGBSBI-UHFFFAOYSA-N

Data  6 KI  2 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 = 198122   

TargetHistone deacetylase(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM198122(HC toxin)
Affinity DataIC50: 430nMAssay Description:Inhibitory activity against histone deacetylase (HDAC) enzyme derived from partially purified extracts of human HeLa cells using [3H]11 as radioligan...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/4/2012
Entry Details Article
PubMed
TargetHistone deacetylase 3(Human)
Osaka University

Curated by ChEMBL
LigandPNGBDBM198122(HC toxin)
Affinity DataKi:  0.300nMAssay Description:Binding affinity to HDAC3 (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed
TargetHistone deacetylase 1(Human)
Osaka University

Curated by ChEMBL
LigandPNGBDBM198122(HC toxin)
Affinity DataKi:  0.440nMAssay Description:Binding affinity to HDAC1 (unknown origin) assessed as inhibition constant(ki,1)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed
TargetHistone deacetylase 2(Human)
Osaka University

Curated by ChEMBL
LigandPNGBDBM198122(HC toxin)
Affinity DataKi:  1.20nMAssay Description:Binding affinity to HDAC2 (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed
TargetHistone deacetylase 2(Human)
Osaka University

Curated by ChEMBL
LigandPNGBDBM198122(HC toxin)
Affinity DataKi:  10nMAssay Description:Binding affinity to HDAC2 (unknown origin) assessed as inhibition constant(ki,1)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed
TargetHistone deacetylase 3(Human)
Osaka University

Curated by ChEMBL
LigandPNGBDBM198122(HC toxin)
Affinity DataKi:  14nMAssay Description:Binding affinity to HDAC3 (unknown origin) assessed as inhibition constant(ki,1)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed
TargetHistone deacetylase 6 [440-798](Zebrafish)
University of Pennsylvania

LigandPNGBDBM198122(HC toxin)
Affinity DataKi:  350nM ΔG°:  -8.80kcal/mole IC50: 600nMT: 2°CAssay Description:The fluorescence anisotropy assay was performed with fluorescein-labeled SAHA (fl-SAHA, gift of C. Fierke, University of Michigan) and measured using...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/31/2016
Entry Details Article
PubMed