Compile Data Set for Download or QSAR

Found 22 hits of Enzyme Inhibition Constant Data   

TargetHistone deacetylase 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50016941(CHEMBL3286732)copy SMILEScopy InChI
Affinity DataIC50: 6nMAssay Description:Inhibition of FLAG-tagged full-length human recombinant HDAC1 expressed in HEK293F cells using acetyl-lysine containing peptide as substrate preincub...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HH6MM7PubMed
TargetHistone deacetylase 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50016942(CHEMBL3286733)copy SMILEScopy InChI
Affinity DataIC50: 11nMAssay Description:Inhibition of FLAG-tagged full-length human recombinant HDAC1 expressed in HEK293F cells using acetyl-lysine containing peptide as substrate preincub...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HH6MM7PubMed
TargetHistone deacetylase 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50016943(CHEMBL3286734)copy SMILEScopy InChI
Affinity DataIC50: 14nMAssay Description:Inhibition of FLAG-tagged full-length human recombinant HDAC1 expressed in HEK293F cells using acetyl-lysine containing peptide as substrate preincub...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HH6MM7PubMed
TargetHistone deacetylase 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50016944(CHEMBL3286735)copy SMILEScopy InChI
Affinity DataIC50: 17nMAssay Description:Inhibition of FLAG-tagged full-length human recombinant HDAC1 expressed in HEK293F cells using acetyl-lysine containing peptide as substrate preincub...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HH6MM7PubMed
TargetHistone deacetylase 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50016946(CHEMBL3286737)copy SMILEScopy InChI
Affinity DataIC50: 18nMAssay Description:Inhibition of FLAG-tagged full-length human recombinant HDAC1 expressed in HEK293F cells using acetyl-lysine containing peptide as substrate preincub...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HH6MM7PubMed
TargetHistone deacetylase 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50016945(CHEMBL3286736)copy SMILEScopy InChI
Affinity DataIC50: 20nMAssay Description:Inhibition of FLAG-tagged full-length human recombinant HDAC1 expressed in HEK293F cells using acetyl-lysine containing peptide as substrate preincub...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HH6MM7PubMed
TargetHistone deacetylase 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50016941(CHEMBL3286732)copy SMILEScopy InChI
Affinity DataIC50: 45nMAssay Description:Inhibition of FLAG-tagged full-length human recombinant HDAC2 expressed in baculovirus infected Sf9 cells using acetyl-lysine containing peptide as s...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HH6MM7PubMed
TargetHistone deacetylase 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50016947(CHEMBL3286738)copy SMILEScopy InChI
Affinity DataIC50: 51nMAssay Description:Inhibition of FLAG-tagged full-length human recombinant HDAC1 expressed in HEK293F cells using acetyl-lysine containing peptide as substrate preincub...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HH6MM7PubMed
TargetHistone deacetylase 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50016948(CHEMBL3286739)copy SMILEScopy InChI
Affinity DataIC50: 580nMAssay Description:Inhibition of FLAG-tagged full-length human recombinant HDAC1 expressed in HEK293F cells using acetyl-lysine containing peptide as substrate preincub...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HH6MM7PubMed
TargetHistone deacetylase 3(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50016941(CHEMBL3286732)copy SMILEScopy InChI
Affinity DataIC50: 7.00E+3nMAssay Description:Inhibition of FLAG-tagged full-length human recombinant HDAC3 expressed in HEK293F cells coexpressing SMRT using acetyl-lysine containing peptide as ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HH6MM7PubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50016941(CHEMBL3286732)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HH6MM7PubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50016941(CHEMBL3286732)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HH6MM7PubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50016941(CHEMBL3286732)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HH6MM7PubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50016941(CHEMBL3286732)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HH6MM7PubMed
TargetCytochrome P450 2C8(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50016941(CHEMBL3286732)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2C8 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HH6MM7PubMed
TargetHistone deacetylase 8(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50016941(CHEMBL3286732)copy SMILEScopy InChI
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of His-tagged full-length human recombinant HDAC8 expressed in Escherichia coli using acetyl-lysine containing peptide as substrate preinc...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HH6MM7PubMed
TargetHistone deacetylase 11(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50016941(CHEMBL3286732)copy SMILEScopy InChI
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of FLAG-tagged full-length human recombinant HDAC11 expressed in HEK293F cells using acetyl-lysine containing peptide as substrate preincu...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HH6MM7PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50016941(CHEMBL3286732)copy SMILEScopy InChI
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human ERG expressed in HEK cells by voltage clamp assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HH6MM7PubMed
TargetHistone deacetylase 7(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50016941(CHEMBL3286732)copy SMILEScopy InChI
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of His-tagged human recombinant HDAC7 catalytic domain expressed in Escherichia coli using acetyl-lysine containing peptide as substrate p...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HH6MM7PubMed
TargetHistone deacetylase 4(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50016941(CHEMBL3286732)copy SMILEScopy InChI
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of His-tagged human recombinant HDAC4 catalytic domain expressed in Escherichia coli using acetyl-lysine containing peptide as substrate p...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HH6MM7PubMed
TargetHistone deacetylase 6(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50016941(CHEMBL3286732)copy SMILEScopy InChI
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of FLAG-tagged full-length human recombinant HDAC6 expressed in HEK293F cells using acetyl-lysine containing peptide as substrate preincub...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HH6MM7PubMed
TargetHistone deacetylase 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50016941(CHEMBL3286732)copy SMILEScopy InChI
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of His-tagged human recombinant HDAC5 catalytic domain expressed in Escherichia coli using acetyl-lysine containing peptide as substrate p...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HH6MM7PubMed
* indicates data uncertainty>20%