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PubMed code 26753813

Compile data set for download or QSAR
Found 22 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50140176
PNG
(CHEMBL3394285)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C10H8F3NO2/c11-10(12,13)8-4-1-7(2-5-8)3-6-9(15)14-16/h1-6,16H,(H,14,15)/b6-3+
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MMDB

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n/an/a 183n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of full length N-terminal GST-tagged human HDAC6 expressed in Sf9 cells using (Arg-His-Lys-Lys(Ac)) as substrate by plate reader analysis


Bioorg Med Chem 24: 686-92 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50140176
PNG
(CHEMBL3394285)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C10H8F3NO2/c11-10(12,13)8-4-1-7(2-5-8)3-6-9(15)14-16/h1-6,16H,(H,14,15)/b6-3+
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n/an/a 954n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of full length human HDAC8 expressed in Escherichia coli using (Arg-His-Lys(Ac)-Lys(Ac)) as substrate by plate reader analysis


Bioorg Med Chem 24: 686-92 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50140176
PNG
(CHEMBL3394285)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C10H8F3NO2/c11-10(12,13)8-4-1-7(2-5-8)3-6-9(15)14-16/h1-6,16H,(H,14,15)/b6-3+
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n/an/a 4.11E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of full length C-terminal GST-tagged human HDAC1 expressed in Sf9 cells using (Arg-His-Lys-Lys(Ac)) as substrate by plate reader analysis


Bioorg Med Chem 24: 686-92 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50140176
PNG
(CHEMBL3394285)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C10H8F3NO2/c11-10(12,13)8-4-1-7(2-5-8)3-6-9(15)14-16/h1-6,16H,(H,14,15)/b6-3+
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n/an/a 5.37E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of full length C-terminal His-tagged human HDAC3 expressed in baculovirus expression system using (Arg-His-Lys-Lys(Ac)) as substrate by pl...


Bioorg Med Chem 24: 686-92 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50140176
PNG
(CHEMBL3394285)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C10H8F3NO2/c11-10(12,13)8-4-1-7(2-5-8)3-6-9(15)14-16/h1-6,16H,(H,14,15)/b6-3+
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n/an/a 5.53E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human HDAC11 expressed in baculovirus expression system using (Arg-His-Lys-Lys(Ac)) as substrate by plate reader ...


Bioorg Med Chem 24: 686-92 (2016)

More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (Human))
BDBM50140176
PNG
(CHEMBL3394285)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C10H8F3NO2/c11-10(12,13)8-4-1-7(2-5-8)3-6-9(15)14-16/h1-6,16H,(H,14,15)/b6-3+
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n/an/a 6.32E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human HDAC10 expressed in Sf9 cells using (Arg-His-Lys-Lys(Ac)) as substrate by plate reader analysis


Bioorg Med Chem 24: 686-92 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50140176
PNG
(CHEMBL3394285)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C10H8F3NO2/c11-10(12,13)8-4-1-7(2-5-8)3-6-9(15)14-16/h1-6,16H,(H,14,15)/b6-3+
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n/an/a 6.36E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of full length C-terminal His-tagged human HDAC2 expressed in Sf9 cells using (Arg-His-Lys-Lys(Ac)) as substrate by plate reader analysis


Bioorg Med Chem 24: 686-92 (2016)

More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50140176
PNG
(CHEMBL3394285)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C10H8F3NO2/c11-10(12,13)8-4-1-7(2-5-8)3-6-9(15)14-16/h1-6,16H,(H,14,15)/b6-3+
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n/an/a 2.15E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TACE expressed in Sf21 cells using MCA-PLAQAV-Dpa-RSSSR-NH2 as substrate


Bioorg Med Chem 24: 686-92 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50140176
PNG
(CHEMBL3394285)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C10H8F3NO2/c11-10(12,13)8-4-1-7(2-5-8)3-6-9(15)14-16/h1-6,16H,(H,14,15)/b6-3+
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n/an/a 3.47E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of full length N-terminal GST-tagged human HDAC5 expressed in Sf9 cells using (Boc-Lys(trifluoroacetyl)-AMC) as substrate by plate reader ...


Bioorg Med Chem 24: 686-92 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50140176
PNG
(CHEMBL3394285)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C10H8F3NO2/c11-10(12,13)8-4-1-7(2-5-8)3-6-9(15)14-16/h1-6,16H,(H,14,15)/b6-3+
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human HDAC9 expressed in baculovirus expression system using (Boc-Lys(trifluoroacetyl)-AMC) as substrate by plate...


Bioorg Med Chem 24: 686-92 (2016)

More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50140176
PNG
(CHEMBL3394285)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C10H8F3NO2/c11-10(12,13)8-4-1-7(2-5-8)3-6-9(15)14-16/h1-6,16H,(H,14,15)/b6-3+
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP8 expressed in Escherichia coli using (5-FAM/QXLTM) FRET peptide as substrate


Bioorg Med Chem 24: 686-92 (2016)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50140176
PNG
(CHEMBL3394285)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C10H8F3NO2/c11-10(12,13)8-4-1-7(2-5-8)3-6-9(15)14-16/h1-6,16H,(H,14,15)/b6-3+
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP9 expressed in Escherichia coli using (5-FAM/QXLTM) FRET peptide as substrate


Bioorg Med Chem 24: 686-92 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50140176
PNG
(CHEMBL3394285)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C10H8F3NO2/c11-10(12,13)8-4-1-7(2-5-8)3-6-9(15)14-16/h1-6,16H,(H,14,15)/b6-3+
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human HDAC4 expressed in baculovirus expression system using (Boc-Lys(trifluoroacetyl)-AMC) as substrate by plate...


Bioorg Med Chem 24: 686-92 (2016)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 10


(Homo sapiens (Human))
BDBM50140176
PNG
(CHEMBL3394285)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C10H8F3NO2/c11-10(12,13)8-4-1-7(2-5-8)3-6-9(15)14-16/h1-6,16H,(H,14,15)/b6-3+
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP10 expressed in Escherichia coli using (5-FAM/QXLTM) FRET peptide as substrate


Bioorg Med Chem 24: 686-92 (2016)

More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50140176
PNG
(CHEMBL3394285)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C10H8F3NO2/c11-10(12,13)8-4-1-7(2-5-8)3-6-9(15)14-16/h1-6,16H,(H,14,15)/b6-3+
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP3 expressed in Escherichia coli using (5-FAM/QXLTM) FRET peptide as substrate


Bioorg Med Chem 24: 686-92 (2016)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50140176
PNG
(CHEMBL3394285)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C10H8F3NO2/c11-10(12,13)8-4-1-7(2-5-8)3-6-9(15)14-16/h1-6,16H,(H,14,15)/b6-3+
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP14 expressed in Escherichia coli using (5-FAM/QXLTM) FRET peptide as substrate


Bioorg Med Chem 24: 686-92 (2016)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50140176
PNG
(CHEMBL3394285)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C10H8F3NO2/c11-10(12,13)8-4-1-7(2-5-8)3-6-9(15)14-16/h1-6,16H,(H,14,15)/b6-3+
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 expressed in Escherichia coli using (5-FAM/QXLTM) FRET peptide as substrate


Bioorg Med Chem 24: 686-92 (2016)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50140176
PNG
(CHEMBL3394285)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C10H8F3NO2/c11-10(12,13)8-4-1-7(2-5-8)3-6-9(15)14-16/h1-6,16H,(H,14,15)/b6-3+
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP7 expressed in Escherichia coli using (5-FAM/QXLTM) FRET peptide as substrate


Bioorg Med Chem 24: 686-92 (2016)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50140176
PNG
(CHEMBL3394285)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C10H8F3NO2/c11-10(12,13)8-4-1-7(2-5-8)3-6-9(15)14-16/h1-6,16H,(H,14,15)/b6-3+
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP12 expressed in Escherichia coli using (5-FAM/QXLTM) FRET peptide as substrate


Bioorg Med Chem 24: 686-92 (2016)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50140176
PNG
(CHEMBL3394285)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C10H8F3NO2/c11-10(12,13)8-4-1-7(2-5-8)3-6-9(15)14-16/h1-6,16H,(H,14,15)/b6-3+
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP1 expressed in Escherichia coli using (5-FAM/QXLTM) FRET peptide as substrate


Bioorg Med Chem 24: 686-92 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50140176
PNG
(CHEMBL3394285)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C10H8F3NO2/c11-10(12,13)8-4-1-7(2-5-8)3-6-9(15)14-16/h1-6,16H,(H,14,15)/b6-3+
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human HDAC7 expressed in baculovirus expression system using (Boc-Lys(trifluoroacetyl)-AMC) as substrate by plate...


Bioorg Med Chem 24: 686-92 (2016)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50140176
PNG
(CHEMBL3394285)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C10H8F3NO2/c11-10(12,13)8-4-1-7(2-5-8)3-6-9(15)14-16/h1-6,16H,(H,14,15)/b6-3+
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP1 expressed in yeast using (5-FAM/QXLTM) FRET peptide as substrate


Bioorg Med Chem 24: 686-92 (2016)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%