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Compile Data Set for Download or QSAR

Found 39 hits with Last Name = 'skerhut' and Initial = 'a'   
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))
BDBM50380399
PNG
(CHEMBL2018302 | Tubastatin A | US10227295, Compoun...)
Show SMILES CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)
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TBA

Assay Description
Inhibition of human recombinant HDAC6 using ZMAL (Z-Lys(Ac)-AMC) fluorogenic substrate incubated for 90 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b01888
BindingDB Entry DOI: 10.7270/Q2T157C4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50439674
PNG
(RICOLINOSTAT | US10858323, Compound 2 | US11207431...)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H27N5O3/c30-22(28-32)15-9-1-2-10-16-25-23(31)19-17-26-24(27-18-19)29(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,17-18,32H,1-2,9-10,15-16H2,(H,25,31)(H,28,30)
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TBA

Assay Description
Inhibition of human recombinant HDAC6 using ZMAL (Z-Lys(Ac)-AMC) fluorogenic substrate incubated for 90 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b01888
BindingDB Entry DOI: 10.7270/Q2T157C4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50398716
PNG
(CHEMBL2179618 | US10227295, Compound 5g | US940985...)
Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1
Show InChI InChI=1S/C19H23N3O3/c1-2-3-13-22(19(24)20-17-7-5-4-6-8-17)14-15-9-11-16(12-10-15)18(23)21-25/h4-12,25H,2-3,13-14H2,1H3,(H,20,24)(H,21,23)
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TBA

Assay Description
Inhibition of human recombinant HDAC6 using ZMAL (Z-Lys(Ac)-AMC) fluorogenic substrate incubated for 90 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b01888
BindingDB Entry DOI: 10.7270/Q2T157C4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50560884
PNG
(CHEMBL4800426)
Show SMILES ONC(=O)c1ccc(CN(Cc2nnnn2Cc2ccccc2)C(=O)c2ccccc2C(F)(F)F)cc1
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TBA

Assay Description
Inhibition of human recombinant HDAC6 using ZMAL (Z-Lys(Ac)-AMC) fluorogenic substrate incubated for 90 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b01888
BindingDB Entry DOI: 10.7270/Q2T157C4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50560881
PNG
(CHEMBL4786332)
Show SMILES ONC(=O)c1ccc(CN(Cc2nnnn2Cc2ccccc2)C(=O)c2ccccc2)cc1
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TBA

Assay Description
Inhibition of human recombinant HDAC6 using ZMAL (Z-Lys(Ac)-AMC) fluorogenic substrate incubated for 90 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b01888
BindingDB Entry DOI: 10.7270/Q2T157C4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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TBA

Assay Description
Inhibition of human recombinant HDAC6 using ZMAL (Z-Lys(Ac)-AMC) fluorogenic substrate incubated for 90 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b01888
BindingDB Entry DOI: 10.7270/Q2T157C4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50560880
PNG
(CHEMBL4781216)
Show SMILES Cc1ccccc1C(=O)N(Cc1nnnn1C1CCCCC1)Cc1ccc(cc1)C(=O)NO
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TBA

Assay Description
Inhibition of human recombinant HDAC6 using ZMAL (Z-Lys(Ac)-AMC) fluorogenic substrate incubated for 90 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b01888
BindingDB Entry DOI: 10.7270/Q2T157C4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50560879
PNG
(CHEMBL4748093)
Show SMILES ONC(=O)c1ccc(CN(Cc2nnnn2C2CCCCC2)C(=O)c2ccccc2)cc1
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TBA

Assay Description
Inhibition of human recombinant HDAC6 using ZMAL (Z-Lys(Ac)-AMC) fluorogenic substrate incubated for 90 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b01888
BindingDB Entry DOI: 10.7270/Q2T157C4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50560882
PNG
(CHEMBL4740787)
Show SMILES Cc1cc(C)cc(c1)C(=O)N(Cc1nnnn1Cc1ccccc1)Cc1ccc(cc1)C(=O)NO
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TBA

Assay Description
Inhibition of human recombinant HDAC6 using ZMAL (Z-Lys(Ac)-AMC) fluorogenic substrate incubated for 90 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b01888
BindingDB Entry DOI: 10.7270/Q2T157C4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM198121
PNG
(HPOB)
Show SMILES OCCN(C(=O)Cc1ccc(cc1)C(=O)NO)c1ccccc1
Show InChI InChI=1S/C17H18N2O4/c20-11-10-19(15-4-2-1-3-5-15)16(21)12-13-6-8-14(9-7-13)17(22)18-23/h1-9,20,23H,10-12H2,(H,18,22)
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TBA

Assay Description
Inhibition of human recombinant HDAC6 using ZMAL (Z-Lys(Ac)-AMC) fluorogenic substrate incubated for 90 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b01888
BindingDB Entry DOI: 10.7270/Q2T157C4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50560877
PNG
(CHEMBL4780849)
Show SMILES ONC(=O)c1ccc(CNC(c2nnnn2Cc2ccccc2)c2ccccc2)cc1
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TBA

Assay Description
Inhibition of human recombinant HDAC6 using ZMAL (Z-Lys(Ac)-AMC) fluorogenic substrate incubated for 90 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b01888
BindingDB Entry DOI: 10.7270/Q2T157C4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50560874
PNG
(CHEMBL4752076)
Show SMILES ONC(=O)c1ccc(CNCc2nnnn2Cc2ccccc2)cc1
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TBA

Assay Description
Inhibition of human recombinant HDAC6 using ZMAL (Z-Lys(Ac)-AMC) fluorogenic substrate incubated for 90 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b01888
BindingDB Entry DOI: 10.7270/Q2T157C4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50560875
PNG
(CHEMBL4754868)
Show SMILES ONC(=O)c1ccc(CNCc2nnnn2C2CCCCC2)cc1
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TBA

Assay Description
Inhibition of human recombinant HDAC6 using ZMAL (Z-Lys(Ac)-AMC) fluorogenic substrate incubated for 90 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b01888
BindingDB Entry DOI: 10.7270/Q2T157C4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50560878
PNG
(CHEMBL4756672)
Show SMILES CCCCC(NCc1ccc(cc1)C(=O)NO)c1nnnn1Cc1ccccc1
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TBA

Assay Description
Inhibition of human recombinant HDAC6 using ZMAL (Z-Lys(Ac)-AMC) fluorogenic substrate incubated for 90 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b01888
BindingDB Entry DOI: 10.7270/Q2T157C4
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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TBA

Assay Description
Inhibition of human recombinant HDAC1 using ZMAL (Z-Lys(Ac)-AMC) fluorogenic substrate incubated for 90 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b01888
BindingDB Entry DOI: 10.7270/Q2T157C4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50560876
PNG
(CHEMBL4760090)
Show SMILES ONC(=O)c1ccc(CNC(c2nnnn2C2CCCCC2)c2ccccc2)cc1
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TBA

Assay Description
Inhibition of human recombinant HDAC6 using ZMAL (Z-Lys(Ac)-AMC) fluorogenic substrate incubated for 90 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b01888
BindingDB Entry DOI: 10.7270/Q2T157C4
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50439674
PNG
(RICOLINOSTAT | US10858323, Compound 2 | US11207431...)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H27N5O3/c30-22(28-32)15-9-1-2-10-16-25-23(31)19-17-26-24(27-18-19)29(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,17-18,32H,1-2,9-10,15-16H2,(H,25,31)(H,28,30)
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TBA

Assay Description
Inhibition of human recombinant HDAC1 using ZMAL (Z-Lys(Ac)-AMC) fluorogenic substrate incubated for 90 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b01888
BindingDB Entry DOI: 10.7270/Q2T157C4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50560883
PNG
(CHEMBL4761974)
Show SMILES CC(C)c1ccc(cc1)C(=O)N(Cc1nnnn1Cc1ccccc1)Cc1ccc(cc1)C(=O)NO
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TBA

Assay Description
Inhibition of human recombinant HDAC6 using ZMAL (Z-Lys(Ac)-AMC) fluorogenic substrate incubated for 90 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b01888
BindingDB Entry DOI: 10.7270/Q2T157C4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50560873
PNG
(CHEMBL4754795)
Show SMILES CC(C)(C)n1nnnc1CNCc1ccc(cc1)C(=O)NO
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TBA

Assay Description
Inhibition of human recombinant HDAC6 using ZMAL (Z-Lys(Ac)-AMC) fluorogenic substrate incubated for 90 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b01888
BindingDB Entry DOI: 10.7270/Q2T157C4
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM29589
PNG
(Faridak | LBH-589 | LBH-589B | Panobinostat | US10...)
Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+
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TBA

Assay Description
Inhibition of human recombinant HDAC4 using Boc-Lys-(epsilon-Tfa)-AMC fluorogenic substrate incubated for 90 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b01888
BindingDB Entry DOI: 10.7270/Q2T157C4
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50398716
PNG
(CHEMBL2179618 | US10227295, Compound 5g | US940985...)
Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1
Show InChI InChI=1S/C19H23N3O3/c1-2-3-13-22(19(24)20-17-7-5-4-6-8-17)14-15-9-11-16(12-10-15)18(23)21-25/h4-12,25H,2-3,13-14H2,1H3,(H,20,24)(H,21,23)
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TBA

Assay Description
Inhibition of human recombinant HDAC1 using ZMAL (Z-Lys(Ac)-AMC) fluorogenic substrate incubated for 90 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b01888
BindingDB Entry DOI: 10.7270/Q2T157C4
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50560882
PNG
(CHEMBL4740787)
Show SMILES Cc1cc(C)cc(c1)C(=O)N(Cc1nnnn1Cc1ccccc1)Cc1ccc(cc1)C(=O)NO
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TBA

Assay Description
Inhibition of human recombinant HDAC1 using ZMAL (Z-Lys(Ac)-AMC) fluorogenic substrate incubated for 90 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b01888
BindingDB Entry DOI: 10.7270/Q2T157C4
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50560881
PNG
(CHEMBL4786332)
Show SMILES ONC(=O)c1ccc(CN(Cc2nnnn2Cc2ccccc2)C(=O)c2ccccc2)cc1
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n/an/a 1.24E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant HDAC1 using ZMAL (Z-Lys(Ac)-AMC) fluorogenic substrate incubated for 90 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b01888
BindingDB Entry DOI: 10.7270/Q2T157C4
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50560883
PNG
(CHEMBL4761974)
Show SMILES CC(C)c1ccc(cc1)C(=O)N(Cc1nnnn1Cc1ccccc1)Cc1ccc(cc1)C(=O)NO
PDB
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n/an/a 1.78E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant HDAC1 using ZMAL (Z-Lys(Ac)-AMC) fluorogenic substrate incubated for 90 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b01888
BindingDB Entry DOI: 10.7270/Q2T157C4
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50560878
PNG
(CHEMBL4756672)
Show SMILES CCCCC(NCc1ccc(cc1)C(=O)NO)c1nnnn1Cc1ccccc1
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n/an/a 2.01E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant HDAC1 using ZMAL (Z-Lys(Ac)-AMC) fluorogenic substrate incubated for 90 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b01888
BindingDB Entry DOI: 10.7270/Q2T157C4
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50560875
PNG
(CHEMBL4754868)
Show SMILES ONC(=O)c1ccc(CNCc2nnnn2C2CCCCC2)cc1
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n/an/a 2.06E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant HDAC1 using ZMAL (Z-Lys(Ac)-AMC) fluorogenic substrate incubated for 90 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b01888
BindingDB Entry DOI: 10.7270/Q2T157C4
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM198121
PNG
(HPOB)
Show SMILES OCCN(C(=O)Cc1ccc(cc1)C(=O)NO)c1ccccc1
Show InChI InChI=1S/C17H18N2O4/c20-11-10-19(15-4-2-1-3-5-15)16(21)12-13-6-8-14(9-7-13)17(22)18-23/h1-9,20,23H,10-12H2,(H,18,22)
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n/an/a 2.10E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant HDAC1 using ZMAL (Z-Lys(Ac)-AMC) fluorogenic substrate incubated for 90 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b01888
BindingDB Entry DOI: 10.7270/Q2T157C4
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50560884
PNG
(CHEMBL4800426)
Show SMILES ONC(=O)c1ccc(CN(Cc2nnnn2Cc2ccccc2)C(=O)c2ccccc2C(F)(F)F)cc1
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n/an/a 2.26E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant HDAC2 using ZMAL (Z-Lys(Ac)-AMC) fluorogenic substrate incubated for 90 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b01888
BindingDB Entry DOI: 10.7270/Q2T157C4
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50560879
PNG
(CHEMBL4748093)
Show SMILES ONC(=O)c1ccc(CN(Cc2nnnn2C2CCCCC2)C(=O)c2ccccc2)cc1
PDB
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n/an/a 2.37E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant HDAC1 using ZMAL (Z-Lys(Ac)-AMC) fluorogenic substrate incubated for 90 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b01888
BindingDB Entry DOI: 10.7270/Q2T157C4
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50560874
PNG
(CHEMBL4752076)
Show SMILES ONC(=O)c1ccc(CNCc2nnnn2Cc2ccccc2)cc1
PDB
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n/an/a 2.45E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant HDAC1 using ZMAL (Z-Lys(Ac)-AMC) fluorogenic substrate incubated for 90 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b01888
BindingDB Entry DOI: 10.7270/Q2T157C4
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50380399
PNG
(CHEMBL2018302 | Tubastatin A | US10227295, Compoun...)
Show SMILES CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)
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n/an/a 2.49E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant HDAC1 using ZMAL (Z-Lys(Ac)-AMC) fluorogenic substrate incubated for 90 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b01888
BindingDB Entry DOI: 10.7270/Q2T157C4
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50560880
PNG
(CHEMBL4781216)
Show SMILES Cc1ccccc1C(=O)N(Cc1nnnn1C1CCCCC1)Cc1ccc(cc1)C(=O)NO
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n/an/a 3.03E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant HDAC1 using ZMAL (Z-Lys(Ac)-AMC) fluorogenic substrate incubated for 90 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b01888
BindingDB Entry DOI: 10.7270/Q2T157C4
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50560877
PNG
(CHEMBL4780849)
Show SMILES ONC(=O)c1ccc(CNC(c2nnnn2Cc2ccccc2)c2ccccc2)cc1
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n/an/a 3.37E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant HDAC1 using ZMAL (Z-Lys(Ac)-AMC) fluorogenic substrate incubated for 90 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b01888
BindingDB Entry DOI: 10.7270/Q2T157C4
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50560876
PNG
(CHEMBL4760090)
Show SMILES ONC(=O)c1ccc(CNC(c2nnnn2C2CCCCC2)c2ccccc2)cc1
PDB
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n/an/a 4.06E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant HDAC1 using ZMAL (Z-Lys(Ac)-AMC) fluorogenic substrate incubated for 90 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b01888
BindingDB Entry DOI: 10.7270/Q2T157C4
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50560884
PNG
(CHEMBL4800426)
Show SMILES ONC(=O)c1ccc(CN(Cc2nnnn2Cc2ccccc2)C(=O)c2ccccc2C(F)(F)F)cc1
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n/an/a 5.18E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant HDAC1 using ZMAL (Z-Lys(Ac)-AMC) fluorogenic substrate incubated for 90 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b01888
BindingDB Entry DOI: 10.7270/Q2T157C4
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50560873
PNG
(CHEMBL4754795)
Show SMILES CC(C)(C)n1nnnc1CNCc1ccc(cc1)C(=O)NO
PDB
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n/an/a 8.24E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant HDAC1 using ZMAL (Z-Lys(Ac)-AMC) fluorogenic substrate incubated for 90 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b01888
BindingDB Entry DOI: 10.7270/Q2T157C4
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50560884
PNG
(CHEMBL4800426)
Show SMILES ONC(=O)c1ccc(CN(Cc2nnnn2Cc2ccccc2)C(=O)c2ccccc2C(F)(F)F)cc1
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n/an/a 8.48E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant HDAC3 using ZMAL (Z-Lys(Ac)-AMC) fluorogenic substrate incubated for 90 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b01888
BindingDB Entry DOI: 10.7270/Q2T157C4
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50560884
PNG
(CHEMBL4800426)
Show SMILES ONC(=O)c1ccc(CN(Cc2nnnn2Cc2ccccc2)C(=O)c2ccccc2C(F)(F)F)cc1
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n/an/a 1.47E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant HDAC8 using Boc-Lys-(epsilon-Tfa)-AMC fluorogenic substrate incubated for 90 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b01888
BindingDB Entry DOI: 10.7270/Q2T157C4
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50560884
PNG
(CHEMBL4800426)
Show SMILES ONC(=O)c1ccc(CN(Cc2nnnn2Cc2ccccc2)C(=O)c2ccccc2C(F)(F)F)cc1
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n/an/a 5.54E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant HDAC4 using Boc-Lys-(epsilon-Tfa)-AMC fluorogenic substrate incubated for 90 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b01888
BindingDB Entry DOI: 10.7270/Q2T157C4
More data for this
Ligand-Target Pair