BDBM50503690 CHEMBL4456445

SMILES ONC(=O)C(c1ccc(cc1)-c1ncc(cn1)C(F)(F)F)c1ccccc1F

InChI Key InChIKey=LMGDHGQJJLEAPQ-UHFFFAOYSA-N

Data  1 KI  18 IC50  1 Kd

  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 20 hits for monomerid = 50503690   

TargetHistone deacetylase 4(Homo sapiens (Human))
Heinrich-Heine-Universit£T D£Sseldorf

Curated by ChEMBL
LigandPNGBDBM50503690(CHEMBL4456445)
Affinity DataKi:  170nMAssay Description:Inhibition of recombinant human HDAC4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 1/2/3/8(Homo sapiens (Human))
Charles River Laboratories

Curated by ChEMBL
LigandPNGBDBM50503690(CHEMBL4456445)
Affinity DataIC50: >5.00E+3nMAssay Description:Inhibition of class 1 HDAC in human Jurkat E6.1 cells using Boc-Lys(Ac)-AMC as substrate incubated for 24 hrs by plate reader assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetHistone deacetylase 6(Homo sapiens (Human))
Charles River Discovery (Previously Biofocus)

Curated by ChEMBL
LigandPNGBDBM50503690(CHEMBL4456445)
Affinity DataIC50:  1.70E+4nMAssay Description:Inhibition of HDAC6 in human A549 cells using tubulin as substrate measured after 4 hrs by Western blot analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 1/2/3/8(Homo sapiens (Human))
Charles River Laboratories

Curated by ChEMBL
LigandPNGBDBM50503690(CHEMBL4456445)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of HDAC class 1 in human A549 cells using histone H4K12 as substrate measured after 4 hrs by Western blot analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 4(Homo sapiens (Human))
Heinrich-Heine-Universit£T D£Sseldorf

Curated by ChEMBL
LigandPNGBDBM50503690(CHEMBL4456445)
Affinity DataKd:  112nMAssay Description:Binding affinity to HDAC4 catalytic domain (648 to 1057 residues) (unknown origin) by surface plasmon resonance analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 2(Homo sapiens (Human))
Charles River Discovery (Previously Biofocus)

Curated by ChEMBL
LigandPNGBDBM50503690(CHEMBL4456445)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of human full length C-terminal FLAG-tagged HDAC2 expressed in baculovirus infected Sf9 insect cells using Ac-Arg-Gly-Lys(Ac) as substrate...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 6(Homo sapiens (Human))
Charles River Discovery (Previously Biofocus)

Curated by ChEMBL
LigandPNGBDBM50503690(CHEMBL4456445)
Affinity DataIC50:  6.20E+3nMAssay Description:Inhibition of recombinant human HDAC6 expressed in HEK293 cells using Lys-Ac-AMC as substrate measured after 60 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)(Homo sapiens (Human))
Charles River Discovery (Previously Biofocus)

Curated by ChEMBL
LigandPNGBDBM50503690(CHEMBL4456445)
Affinity DataIC50:  2.58E+4nMAssay Description:Inhibition of full length recombinant human C-terminal His-tagged HDAC3/N-terminal GST-tagged NCOR2 co-expressed in baculovirus expression system usi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 4(Homo sapiens (Human))
Heinrich-Heine-Universit£T D£Sseldorf

Curated by ChEMBL
LigandPNGBDBM50503690(CHEMBL4456445)
Affinity DataIC50:  54nMAssay Description:Inhibition of HDAC4 catalytic domain (648 to 1057 residues) (unknown origin) using Boc-Lys-TFA as substrate measured after 60 mins by fluorescence as...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 9(Homo sapiens (Human))
Charles River Discovery (Previously Biofocus)

Curated by ChEMBL
LigandPNGBDBM50503690(CHEMBL4456445)
Affinity DataIC50:  50nMAssay Description:Inhibition of human C-terminal His-tagged HDAC9 (604 to 1066 residues) expressed in baculovirus infected Sf9 insect cells using Boc-Lys-TFA as substr...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 5(Homo sapiens (Human))
Charles River Discovery (Previously Biofocus)

Curated by ChEMBL
LigandPNGBDBM50503690(CHEMBL4456445)
Affinity DataIC50:  60nMAssay Description:Inhibition of human C-terminal His-tagged HDAC5 catalytic domain (656 to 1122 residues) expressed in baculovirus infected Sf9 insect cells using Boc-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 8(Homo sapiens (Human))
Charles River Discovery (Previously Biofocus)

Curated by ChEMBL
LigandPNGBDBM50503690(CHEMBL4456445)
Affinity DataIC50:  9.10E+3nMAssay Description:Inhibition of human full length C-terminal His-tagged HDAC8 expressed in baculovirus infected Sf9 insect cells using Boc-Lys-TFA as substrate measure...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 1(Homo sapiens (Human))
Charles River Discovery (Previously Biofocus)

Curated by ChEMBL
LigandPNGBDBM50503690(CHEMBL4456445)
Affinity DataIC50:  3.97E+4nMAssay Description:Inhibition of human full length C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus infected Sf9 insect cells using Lys-Ac-AMC as substrate mea...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 4(Homo sapiens (Human))
Heinrich-Heine-Universit£T D£Sseldorf

Curated by ChEMBL
LigandPNGBDBM50503690(CHEMBL4456445)
Affinity DataIC50:  450nMAssay Description:Inhibition of recombinant human N-terminal GST-fusion tagged/C-terminal GST-tagged HDAC4 (627 to 1084 residues) expressed in baculovirus infected ins...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 4(Homo sapiens (Human))
Heinrich-Heine-Universit£T D£Sseldorf

Curated by ChEMBL
LigandPNGBDBM50503690(CHEMBL4456445)
Affinity DataIC50:  54nMAssay Description:Inhibition of recombinant HDAC4 (unknown origin) using Boc-Lys(TFA)-AMC as substrate by fluorescence based plate reader assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetHistone deacetylase 5(Homo sapiens (Human))
Charles River Discovery (Previously Biofocus)

Curated by ChEMBL
LigandPNGBDBM50503690(CHEMBL4456445)
Affinity DataIC50:  60nMAssay Description:Inhibition of recombinant HDAC5 (unknown origin) using Boc-Lys(TFA)-AMC as substrate by fluorescence based plate reader assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetHistone deacetylase 7(Homo sapiens (Human))
Charles River Laboratories

Curated by ChEMBL
LigandPNGBDBM50503690(CHEMBL4456445)
Affinity DataIC50:  31nMAssay Description:Inhibition of recombinant HDAC7 (unknown origin) using Boc-Lys(TFA)-AMC as substrate by fluorescence based plate reader assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetHistone deacetylase 9(Homo sapiens (Human))
Charles River Discovery (Previously Biofocus)

Curated by ChEMBL
LigandPNGBDBM50503690(CHEMBL4456445)
Affinity DataIC50:  50nMAssay Description:Inhibition of recombinant HDAC9 (unknown origin) using Boc-Lys(TFA)-AMC as substrate by fluorescence based plate reader assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetHistone deacetylase 7(Homo sapiens (Human))
Charles River Laboratories

Curated by ChEMBL
LigandPNGBDBM50503690(CHEMBL4456445)
Affinity DataIC50:  31nMAssay Description:Inhibition of human N-terminal GST-tagged HDAC7 (518 to end residues) expressed in baculovirus infected Sf9 insect cells using Boc-Lys-TFA as substra...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Charles River Discovery (Previously Biofocus)

Curated by ChEMBL
LigandPNGBDBM50503690(CHEMBL4456445)
Affinity DataIC50: >1.00E+5nMAssay Description:Displacement of [3H]dofetilide from recombinant human ERG after 60 mins by scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed