BDBM50016941 CHEMBL3286732

SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CNC(=O)O2)CC1)-c1cccs1

InChI Key InChIKey=MUTPWJCHZIMJSP-UHFFFAOYSA-N

Data  1 KI  17 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 18 hits for monomerid = 50016941   

TargetHistone deacetylase 4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50016941(CHEMBL3286732)
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 Depth
Date in BDB:
2/10/2015
Entry Details Article
PubMed
TargetHistone deacetylase 3(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50016941(CHEMBL3286732)
Affinity DataIC50: 6.70E+3nMAssay Description:Inhibition of human recombinant full length FLAG-tagged HDAC3 expressed in HEK293F cells in using BML-KI104 as substrate in presence of SAHA as inhib...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed
TargetHistone deacetylase 1(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50016941(CHEMBL3286732)
Affinity DataIC50: 6nMAssay Description:Inhibition of human recombinant full length FLAG-tagged HDAC1 expressed in HEK293F cells using BML-KI104 as substrate in presence of SAHA as inhibito...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed
TargetHistone deacetylase 11(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50016941(CHEMBL3286732)
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 Depth
Date in BDB:
2/10/2015
Entry Details Article
PubMed
TargetHistone deacetylase 8(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50016941(CHEMBL3286732)
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 Depth
Date in BDB:
2/10/2015
Entry Details Article
PubMed
TargetHistone deacetylase 7(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50016941(CHEMBL3286732)
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 Depth
Date in BDB:
2/10/2015
Entry Details Article
PubMed
TargetHistone deacetylase 6(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50016941(CHEMBL3286732)
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 Depth
Date in BDB:
2/10/2015
Entry Details Article
PubMed
TargetHistone deacetylase 5(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50016941(CHEMBL3286732)
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 Depth
Date in BDB:
2/10/2015
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50016941(CHEMBL3286732)
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 Depth
Date in BDB:
2/10/2015
Entry Details Article
PubMed
TargetHistone deacetylase 3(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50016941(CHEMBL3286732)
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 Depth
Date in BDB:
2/10/2015
Entry Details Article
PubMed
TargetHistone deacetylase 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50016941(CHEMBL3286732)
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 Depth
Date in BDB:
2/10/2015
Entry Details Article
PubMed
TargetHistone deacetylase 1(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50016941(CHEMBL3286732)
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 Depth
Date in BDB:
2/10/2015
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50016941(CHEMBL3286732)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/10/2015
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50016941(CHEMBL3286732)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/10/2015
Entry Details Article
PubMed
TargetCytochrome P450 2C8(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50016941(CHEMBL3286732)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2C8 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/10/2015
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50016941(CHEMBL3286732)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/10/2015
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50016941(CHEMBL3286732)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/10/2015
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50016941(CHEMBL3286732)
Affinity DataKi: >3.00E+4nMAssay Description:Binding affinity to human ERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/10/2015
Entry Details Article
PubMed