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PubMed code 32383881

Compile data set for download or QSAR
Found 93 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 1


(Homo sapiens (Human))
BDBM50538663
PNG
(CHEMBL4642874)
Show SMILES ONC(=O)c1ccc(NC(=O)C2(CCOCC2)c2ccc3ccccc3c2)cc1
Show InChI InChI=1S/C23H22N2O4/c26-21(25-28)17-6-9-20(10-7-17)24-22(27)23(11-13-29-14-12-23)19-8-5-16-3-1-2-4-18(16)15-19/h1-10,15,28H,11-14H2,(H,24,27)(H,25,26)
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n/an/a 0.720n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50538642
PNG
(CHEMBL4632569)
Show SMILES CC(=O)Nc1ccccc1-c1ccc(cc1)C1(CCCC1)C(=O)Nc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C27H27N3O4/c1-18(31)28-24-7-3-2-6-23(24)19-8-12-21(13-9-19)27(16-4-5-17-27)26(33)29-22-14-10-20(11-15-22)25(32)30-34/h2-3,6-15,34H,4-5,16-17H2,1H3,(H,28,31)(H,29,33)(H,30,32)
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n/an/a 0.940n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50538658
PNG
(CHEMBL4634521)
Show SMILES ONC(=O)c1ccc(NC(=O)C2(CCOCC2)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C19H19BrN2O4/c20-15-5-3-14(4-6-15)19(9-11-26-12-10-19)18(24)21-16-7-1-13(2-8-16)17(23)22-25/h1-8,25H,9-12H2,(H,21,24)(H,22,23)
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50538648
PNG
(CHEMBL4640415)
Show SMILES ONC(=O)c1ccc(NC(=O)C2(CCCC2)c2ccc(cc2)-c2cccc(c2)C(O)=O)cc1
Show InChI InChI=1S/C26H24N2O5/c29-23(28-33)18-8-12-22(13-9-18)27-25(32)26(14-1-2-15-26)21-10-6-17(7-11-21)19-4-3-5-20(16-19)24(30)31/h3-13,16,33H,1-2,14-15H2,(H,27,32)(H,28,29)(H,30,31)
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50538663
PNG
(CHEMBL4642874)
Show SMILES ONC(=O)c1ccc(NC(=O)C2(CCOCC2)c2ccc3ccccc3c2)cc1
Show InChI InChI=1S/C23H22N2O4/c26-21(25-28)17-6-9-20(10-7-17)24-22(27)23(11-13-29-14-12-23)19-8-5-16-3-1-2-4-18(16)15-19/h1-10,15,28H,11-14H2,(H,24,27)(H,25,26)
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50538656
PNG
(CHEMBL4640304)
Show SMILES ONC(=O)c1ccc(NC(=O)C2(CCOCC2)c2ccc(cc2)-c2cn[nH]c2)cc1
Show InChI InChI=1S/C22H22N4O4/c27-20(26-29)16-3-7-19(8-4-16)25-21(28)22(9-11-30-12-10-22)18-5-1-15(2-6-18)17-13-23-24-14-17/h1-8,13-14,29H,9-12H2,(H,23,24)(H,25,28)(H,26,27)
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50538657
PNG
(CHEMBL4639966)
Show SMILES ONC(=O)c1ccc(NC(=O)C2(CCCCC2)c2ccc(cc2)-c2cn[nH]c2)cc1
Show InChI InChI=1S/C23H24N4O3/c28-21(27-30)17-6-10-20(11-7-17)26-22(29)23(12-2-1-3-13-23)19-8-4-16(5-9-19)18-14-24-25-15-18/h4-11,14-15,30H,1-3,12-13H2,(H,24,25)(H,26,29)(H,27,28)
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50538657
PNG
(CHEMBL4639966)
Show SMILES ONC(=O)c1ccc(NC(=O)C2(CCCCC2)c2ccc(cc2)-c2cn[nH]c2)cc1
Show InChI InChI=1S/C23H24N4O3/c28-21(27-30)17-6-10-20(11-7-17)26-22(29)23(12-2-1-3-13-23)19-8-4-16(5-9-19)18-14-24-25-15-18/h4-11,14-15,30H,1-3,12-13H2,(H,24,25)(H,26,29)(H,27,28)
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50538654
PNG
(CHEMBL4636523)
Show SMILES COc1ccc(cc1-c1cn[nH]c1)C1(CCCCC1)C(=O)Nc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C24H26N4O4/c1-32-21-10-7-18(13-20(21)17-14-25-26-15-17)24(11-3-2-4-12-24)23(30)27-19-8-5-16(6-9-19)22(29)28-31/h5-10,13-15,31H,2-4,11-12H2,1H3,(H,25,26)(H,27,30)(H,28,29)
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50538637
PNG
(CHEMBL4633137)
Show SMILES ONC(=O)c1ccc(NC(=O)C2(CCCC2)c2ccc(cc2)-c2cn[nH]c2)cc1
Show InChI InChI=1S/C22H22N4O3/c27-20(26-29)16-5-9-19(10-6-16)25-21(28)22(11-1-2-12-22)18-7-3-15(4-8-18)17-13-23-24-14-17/h3-10,13-14,29H,1-2,11-12H2,(H,23,24)(H,25,28)(H,26,27)
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50538634
PNG
(CHEMBL4640356)
Show SMILES ONC(=O)c1ccc(NC(=O)C2(CCCC2)c2c[nH]c(n2)-c2ccccc2)cc1
Show InChI InChI=1S/C22H22N4O3/c27-20(26-29)16-8-10-17(11-9-16)24-21(28)22(12-4-5-13-22)18-14-23-19(25-18)15-6-2-1-3-7-15/h1-3,6-11,14,29H,4-5,12-13H2,(H,23,25)(H,24,28)(H,26,27)
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50538638
PNG
(CHEMBL4646011)
Show SMILES ONC(=O)c1ccc(NC(=O)C2(CCCC2)c2ccc(cc2)-c2cc[nH]n2)cc1
Show InChI InChI=1S/C22H22N4O3/c27-20(26-29)16-5-9-18(10-6-16)24-21(28)22(12-1-2-13-22)17-7-3-15(4-8-17)19-11-14-23-25-19/h3-11,14,29H,1-2,12-13H2,(H,23,25)(H,24,28)(H,26,27)
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50538643
PNG
(CHEMBL4640407)
Show SMILES Nc1cccc(c1)-c1ccc(cc1)C1(CCCC1)C(=O)Nc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C25H25N3O3/c26-21-5-3-4-19(16-21)17-6-10-20(11-7-17)25(14-1-2-15-25)24(30)27-22-12-8-18(9-13-22)23(29)28-31/h3-13,16,31H,1-2,14-15,26H2,(H,27,30)(H,28,29)
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50538625
PNG
(CHEMBL4636734)
Show SMILES CN(C)c1ccc(cc1)C1(CCCC1)C(=O)Nc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C21H25N3O3/c1-24(2)18-11-7-16(8-12-18)21(13-3-4-14-21)20(26)22-17-9-5-15(6-10-17)19(25)23-27/h5-12,27H,3-4,13-14H2,1-2H3,(H,22,26)(H,23,25)
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50538658
PNG
(CHEMBL4634521)
Show SMILES ONC(=O)c1ccc(NC(=O)C2(CCOCC2)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C19H19BrN2O4/c20-15-5-3-14(4-6-15)19(9-11-26-12-10-19)18(24)21-16-7-1-13(2-8-16)17(23)22-25/h1-8,25H,9-12H2,(H,21,24)(H,22,23)
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50538639
PNG
(CHEMBL4647467)
Show SMILES Cc1[nH]ncc1-c1ccc(cc1)C1(CCCC1)C(=O)Nc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C23H24N4O3/c1-15-20(14-24-26-15)16-4-8-18(9-5-16)23(12-2-3-13-23)22(29)25-19-10-6-17(7-11-19)21(28)27-30/h4-11,14,30H,2-3,12-13H2,1H3,(H,24,26)(H,25,29)(H,27,28)
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50538644
PNG
(CHEMBL4646613)
Show SMILES CC(=O)Nc1cccc(c1)-c1ccc(cc1)C1(CCCC1)C(=O)Nc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C27H27N3O4/c1-18(31)28-24-6-4-5-21(17-24)19-7-11-22(12-8-19)27(15-2-3-16-27)26(33)29-23-13-9-20(10-14-23)25(32)30-34/h4-14,17,34H,2-3,15-16H2,1H3,(H,28,31)(H,29,33)(H,30,32)
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50538645
PNG
(CHEMBL4640593)
Show SMILES ONC(=O)c1ccc(NC(=O)C2(CCCC2)c2ccc(cc2)-c2cccnc2)cc1
Show InChI InChI=1S/C24H23N3O3/c28-22(27-30)18-7-11-21(12-8-18)26-23(29)24(13-1-2-14-24)20-9-5-17(6-10-20)19-4-3-15-25-16-19/h3-12,15-16,30H,1-2,13-14H2,(H,26,29)(H,27,28)
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50538662
PNG
(CHEMBL4646451)
Show SMILES ONC(=O)c1ccc(NC(=O)C2(CCOCC2)c2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C19H18Cl2N2O4/c20-15-6-3-13(11-16(15)21)19(7-9-27-10-8-19)18(25)22-14-4-1-12(2-5-14)17(24)23-26/h1-6,11,26H,7-10H2,(H,22,25)(H,23,24)
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50538636
PNG
(CHEMBL4646320)
Show SMILES ONC(=O)c1ccc(NC(=O)C2(CCCC2)c2c[nH]c(n2)-c2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C22H21N5O5/c28-20(26-30)15-3-7-16(8-4-15)24-21(29)22(11-1-2-12-22)18-13-23-19(25-18)14-5-9-17(10-6-14)27(31)32/h3-10,13,30H,1-2,11-12H2,(H,23,25)(H,24,29)(H,26,28)
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50538648
PNG
(CHEMBL4640415)
Show SMILES ONC(=O)c1ccc(NC(=O)C2(CCCC2)c2ccc(cc2)-c2cccc(c2)C(O)=O)cc1
Show InChI InChI=1S/C26H24N2O5/c29-23(28-33)18-8-12-22(13-9-18)27-25(32)26(14-1-2-15-26)21-10-6-17(7-11-21)19-4-3-5-20(16-19)24(30)31/h3-13,16,33H,1-2,14-15H2,(H,27,32)(H,28,29)(H,30,31)
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50538623
PNG
(CHEMBL4647859)
Show SMILES ONC(=O)c1ccc(NC(=O)C2(CCCC2)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C19H19BrN2O3/c20-15-7-5-14(6-8-15)19(11-1-2-12-19)18(24)21-16-9-3-13(4-10-16)17(23)22-25/h3-10,25H,1-2,11-12H2,(H,21,24)(H,22,23)
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50538647
PNG
(CHEMBL4648856)
Show SMILES ONC(=O)c1ccc(NC(=O)C2(CCCC2)c2ccc(cc2)-c2ccc3[nH]ccc3c2)cc1
Show InChI InChI=1S/C27H25N3O3/c31-25(30-33)19-5-10-23(11-6-19)29-26(32)27(14-1-2-15-27)22-8-3-18(4-9-22)20-7-12-24-21(17-20)13-16-28-24/h3-13,16-17,28,33H,1-2,14-15H2,(H,29,32)(H,30,31)
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50538663
PNG
(CHEMBL4642874)
Show SMILES ONC(=O)c1ccc(NC(=O)C2(CCOCC2)c2ccc3ccccc3c2)cc1
Show InChI InChI=1S/C23H22N2O4/c26-21(25-28)17-6-9-20(10-7-17)24-22(27)23(11-13-29-14-12-23)19-8-5-16-3-1-2-4-18(16)15-19/h1-10,15,28H,11-14H2,(H,24,27)(H,25,26)
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50538640
PNG
(CHEMBL4633570)
Show SMILES Cc1n[nH]c(C)c1-c1ccc(cc1)C1(CCCC1)C(=O)Nc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C24H26N4O3/c1-15-21(16(2)27-26-15)17-5-9-19(10-6-17)24(13-3-4-14-24)23(30)25-20-11-7-18(8-12-20)22(29)28-31/h5-12,31H,3-4,13-14H2,1-2H3,(H,25,30)(H,26,27)(H,28,29)
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50538660
PNG
(CHEMBL4643094)
Show SMILES ONC(=O)c1ccc(NC(=O)C2(CCOCC2)c2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C19H19N3O6/c23-17(21-25)13-1-5-15(6-2-13)20-18(24)19(9-11-28-12-10-19)14-3-7-16(8-4-14)22(26)27/h1-8,25H,9-12H2,(H,20,24)(H,21,23)
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50538653
PNG
(CHEMBL4646610)
Show SMILES COc1ccc(cc1-c1ccccc1NC(C)=O)C1(CCCCC1)C(=O)Nc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C29H31N3O5/c1-19(33)30-25-9-5-4-8-23(25)24-18-21(12-15-26(24)37-2)29(16-6-3-7-17-29)28(35)31-22-13-10-20(11-14-22)27(34)32-36/h4-5,8-15,18,36H,3,6-7,16-17H2,1-2H3,(H,30,33)(H,31,35)(H,32,34)
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50538625
PNG
(CHEMBL4636734)
Show SMILES CN(C)c1ccc(cc1)C1(CCCC1)C(=O)Nc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C21H25N3O3/c1-24(2)18-11-7-16(8-12-18)21(13-3-4-14-21)20(26)22-17-9-5-15(6-10-17)19(25)23-27/h5-12,27H,3-4,13-14H2,1-2H3,(H,22,26)(H,23,25)
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50538634
PNG
(CHEMBL4640356)
Show SMILES ONC(=O)c1ccc(NC(=O)C2(CCCC2)c2c[nH]c(n2)-c2ccccc2)cc1
Show InChI InChI=1S/C22H22N4O3/c27-20(26-29)16-8-10-17(11-9-16)24-21(28)22(12-4-5-13-22)18-14-23-19(25-18)15-6-2-1-3-7-15/h1-3,6-11,14,29H,4-5,12-13H2,(H,23,25)(H,24,28)(H,26,27)
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50538635
PNG
(CHEMBL4636298)
Show SMILES ONC(=O)c1ccc(NC(=O)C2(CCCC2)c2c[nH]c(n2)-c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C22H21BrN4O3/c23-16-7-3-14(4-8-16)19-24-13-18(26-19)22(11-1-2-12-22)21(29)25-17-9-5-15(6-10-17)20(28)27-30/h3-10,13,30H,1-2,11-12H2,(H,24,26)(H,25,29)(H,27,28)
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50538652
PNG
(CHEMBL4646807)
Show SMILES COc1ccc(cc1-c1cccc(N)c1)C1(CCCCC1)C(=O)Nc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C27H29N3O4/c1-34-24-13-10-20(17-23(24)19-6-5-7-21(28)16-19)27(14-3-2-4-15-27)26(32)29-22-11-8-18(9-12-22)25(31)30-33/h5-13,16-17,33H,2-4,14-15,28H2,1H3,(H,29,32)(H,30,31)
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50538655
PNG
(CHEMBL4644988)
Show SMILES CC(=O)Nc1ccc(N)cc1-c1ccc(cc1)C1(CCCCC1)C(=O)Nc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C28H30N4O4/c1-18(33)30-25-14-11-22(29)17-24(25)19-5-9-21(10-6-19)28(15-3-2-4-16-28)27(35)31-23-12-7-20(8-13-23)26(34)32-36/h5-14,17,36H,2-4,15-16,29H2,1H3,(H,30,33)(H,31,35)(H,32,34)
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50538657
PNG
(CHEMBL4639966)
Show SMILES ONC(=O)c1ccc(NC(=O)C2(CCCCC2)c2ccc(cc2)-c2cn[nH]c2)cc1
Show InChI InChI=1S/C23H24N4O3/c28-21(27-30)17-6-10-20(11-7-17)26-22(29)23(12-2-1-3-13-23)19-8-4-16(5-9-19)18-14-24-25-15-18/h4-11,14-15,30H,1-3,12-13H2,(H,24,25)(H,26,29)(H,27,28)
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50538628
PNG
(CHEMBL4646862)
Show SMILES ONC(=O)c1ccc(NC(=O)C2(CCCC2)c2ccc3ccccc3c2)cc1
Show InChI InChI=1S/C23H22N2O3/c26-21(25-28)17-8-11-20(12-9-17)24-22(27)23(13-3-4-14-23)19-10-7-16-5-1-2-6-18(16)15-19/h1-2,5-12,15,28H,3-4,13-14H2,(H,24,27)(H,25,26)
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50538630
PNG
(CHEMBL4646185)
Show SMILES ONC(=O)c1ccc(NC(=O)C2(CCCC2)c2csc(n2)-c2ccccc2)cc1
Show InChI InChI=1S/C22H21N3O3S/c26-19(25-28)15-8-10-17(11-9-15)23-21(27)22(12-4-5-13-22)18-14-29-20(24-18)16-6-2-1-3-7-16/h1-3,6-11,14,28H,4-5,12-13H2,(H,23,27)(H,25,26)
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50475233
PNG
(CHEMBL191091)
Show SMILES CC(C)C(C(=O)Nc1ccc(cc1)C(=O)NO)c1ccccc1
Show InChI InChI=1S/C18H20N2O3/c1-12(2)16(13-6-4-3-5-7-13)18(22)19-15-10-8-14(9-11-15)17(21)20-23/h3-12,16,23H,1-2H3,(H,19,22)(H,20,21)
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50538619
PNG
(CHEMBL4639928)
Show SMILES ONC(=O)c1ccc(NC(=O)C2(CCNCC2)c2ccccc2)cc1
Show InChI InChI=1S/C19H21N3O3/c23-17(22-25)14-6-8-16(9-7-14)21-18(24)19(10-12-20-13-11-19)15-4-2-1-3-5-15/h1-9,20,25H,10-13H2,(H,21,24)(H,22,23)
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50538622
PNG
(CHEMBL4633692)
Show SMILES ONC(=O)c1ccc(NC(=O)C2(CCCC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C19H19ClN2O3/c20-15-7-5-14(6-8-15)19(11-1-2-12-19)18(24)21-16-9-3-13(4-10-16)17(23)22-25/h3-10,25H,1-2,11-12H2,(H,21,24)(H,22,23)
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50538648
PNG
(CHEMBL4640415)
Show SMILES ONC(=O)c1ccc(NC(=O)C2(CCCC2)c2ccc(cc2)-c2cccc(c2)C(O)=O)cc1
Show InChI InChI=1S/C26H24N2O5/c29-23(28-33)18-8-12-22(13-9-18)27-25(32)26(14-1-2-15-26)21-10-6-17(7-11-21)19-4-3-5-20(16-19)24(30)31/h3-13,16,33H,1-2,14-15H2,(H,27,32)(H,28,29)(H,30,31)
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n/an/a 13n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50538617
PNG
(CHEMBL4634357)
Show SMILES ONC(=O)c1ccc(NC(=O)C2(CCCCC2)c2ccccc2)cc1
Show InChI InChI=1S/C20H22N2O3/c23-18(22-25)15-9-11-17(12-10-15)21-19(24)20(13-5-2-6-14-20)16-7-3-1-4-8-16/h1,3-4,7-12,25H,2,5-6,13-14H2,(H,21,24)(H,22,23)
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50538631
PNG
(CHEMBL4643555)
Show SMILES COc1cccc(c1)-c1nc(cs1)C1(CCCC1)C(=O)Nc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C23H23N3O4S/c1-30-18-6-4-5-16(13-18)21-25-19(14-31-21)23(11-2-3-12-23)22(28)24-17-9-7-15(8-10-17)20(27)26-29/h4-10,13-14,29H,2-3,11-12H2,1H3,(H,24,28)(H,26,27)
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50538626
PNG
(CHEMBL4646512)
Show SMILES ONC(=O)c1ccc(NC(=O)C2(CCCC2)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C25H24N2O3/c28-23(27-30)20-10-14-22(15-11-20)26-24(29)25(16-4-5-17-25)21-12-8-19(9-13-21)18-6-2-1-3-7-18/h1-3,6-15,30H,4-5,16-17H2,(H,26,29)(H,27,28)
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50538658
PNG
(CHEMBL4634521)
Show SMILES ONC(=O)c1ccc(NC(=O)C2(CCOCC2)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C19H19BrN2O4/c20-15-5-3-14(4-6-15)19(9-11-26-12-10-19)18(24)21-16-7-1-13(2-8-16)17(23)22-25/h1-8,25H,9-12H2,(H,21,24)(H,22,23)
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50538634
PNG
(CHEMBL4640356)
Show SMILES ONC(=O)c1ccc(NC(=O)C2(CCCC2)c2c[nH]c(n2)-c2ccccc2)cc1
Show InChI InChI=1S/C22H22N4O3/c27-20(26-29)16-8-10-17(11-9-16)24-21(28)22(12-4-5-13-22)18-14-23-19(25-18)15-6-2-1-3-7-15/h1-3,6-11,14,29H,4-5,12-13H2,(H,23,25)(H,24,28)(H,26,27)
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n/an/a 21n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50538613
PNG
(CHEMBL4633594)
Show SMILES CC(C)C(C(=O)Nc1ccc(cn1)C(=O)NO)c1ccccc1
Show InChI InChI=1S/C17H19N3O3/c1-11(2)15(12-6-4-3-5-7-12)17(22)19-14-9-8-13(10-18-14)16(21)20-23/h3-11,15,23H,1-2H3,(H,20,21)(H,18,19,22)
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50538661
PNG
(CHEMBL4642831)
Show SMILES Nc1ccc(cc1)C1(CCOCC1)C(=O)Nc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C19H21N3O4/c20-15-5-3-14(4-6-15)19(9-11-26-12-10-19)18(24)21-16-7-1-13(2-8-16)17(23)22-25/h1-8,25H,9-12,20H2,(H,21,24)(H,22,23)
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50538629
PNG
(CHEMBL4633012)
Show SMILES ONC(=O)c1ccc(NC(=O)C2(CCCC2)c2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C21H21N3O3/c25-19(24-27)14-7-9-15(10-8-14)23-20(26)21(11-3-4-12-21)17-13-22-18-6-2-1-5-16(17)18/h1-2,5-10,13,22,27H,3-4,11-12H2,(H,23,26)(H,24,25)
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50475233
PNG
(CHEMBL191091)
Show SMILES CC(C)C(C(=O)Nc1ccc(cc1)C(=O)NO)c1ccccc1
Show InChI InChI=1S/C18H20N2O3/c1-12(2)16(13-6-4-3-5-7-13)18(22)19-15-10-8-14(9-11-15)17(21)20-23/h3-12,16,23H,1-2H3,(H,19,22)(H,20,21)
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50538616
PNG
(CHEMBL4645602)
Show SMILES ONC(=O)c1ccc(NC(=O)C2(CCCC2)c2ccccc2)cc1
Show InChI InChI=1S/C19H20N2O3/c22-17(21-24)14-8-10-16(11-9-14)20-18(23)19(12-4-5-13-19)15-6-2-1-3-7-15/h1-3,6-11,24H,4-5,12-13H2,(H,20,23)(H,21,22)
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50538618
PNG
(CHEMBL4639790)
Show SMILES ONC(=O)c1ccc(NC(=O)C2(CCOCC2)c2ccccc2)cc1
Show InChI InChI=1S/C19H20N2O4/c22-17(21-24)14-6-8-16(9-7-14)20-18(23)19(10-12-25-13-11-19)15-4-2-1-3-5-15/h1-9,24H,10-13H2,(H,20,23)(H,21,22)
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50538649
PNG
(CHEMBL4633750)
Show SMILES COc1ccc(cc1OC)C1(CCCCC1)C(=O)Nc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C22H26N2O5/c1-28-18-11-8-16(14-19(18)29-2)22(12-4-3-5-13-22)21(26)23-17-9-6-15(7-10-17)20(25)24-27/h6-11,14,27H,3-5,12-13H2,1-2H3,(H,23,26)(H,24,25)
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50538651
PNG
(CHEMBL4634503)
Show SMILES COc1ccc(cc1Br)C1(CCCCC1)C(=O)Nc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C21H23BrN2O4/c1-28-18-10-7-15(13-17(18)22)21(11-3-2-4-12-21)20(26)23-16-8-5-14(6-9-16)19(25)24-27/h5-10,13,27H,2-4,11-12H2,1H3,(H,23,26)(H,24,25)
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50538634
PNG
(CHEMBL4640356)
Show SMILES ONC(=O)c1ccc(NC(=O)C2(CCCC2)c2c[nH]c(n2)-c2ccccc2)cc1
Show InChI InChI=1S/C22H22N4O3/c27-20(26-29)16-8-10-17(11-9-16)24-21(28)22(12-4-5-13-22)18-14-23-19(25-18)15-6-2-1-3-7-15/h1-3,6-11,14,29H,4-5,12-13H2,(H,23,25)(H,24,28)(H,26,27)
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50538621
PNG
(CHEMBL4632914)
Show SMILES ONC(=O)c1ccc(NC(=O)C2(CCCC2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C19H19FN2O3/c20-15-7-5-14(6-8-15)19(11-1-2-12-19)18(24)21-16-9-3-13(4-10-16)17(23)22-25/h3-10,25H,1-2,11-12H2,(H,21,24)(H,22,23)
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50538650
PNG
(CHEMBL4642153)
Show SMILES ONC(=O)c1ccc(NC(=O)C2(CCCCC2)c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C21H22N2O5/c24-19(23-26)14-4-7-16(8-5-14)22-20(25)21(10-2-1-3-11-21)15-6-9-17-18(12-15)28-13-27-17/h4-9,12,26H,1-3,10-11,13H2,(H,22,25)(H,23,24)
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50538627
PNG
(CHEMBL4648635)
Show SMILES ONC(=O)c1ccc(NC(=O)C2(CCCC2)c2ccc(c(F)c2)-c2ccccc2)cc1
Show InChI InChI=1S/C25H23FN2O3/c26-22-16-19(10-13-21(22)17-6-2-1-3-7-17)25(14-4-5-15-25)24(30)27-20-11-8-18(9-12-20)23(29)28-31/h1-3,6-13,16,31H,4-5,14-15H2,(H,27,30)(H,28,29)
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n/an/a 42n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50538641
PNG
(CHEMBL4633075)
Show SMILES C\C(=N/O)c1sccc1-c1ccc(cc1)C1(CCCC1)C(=O)Nc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C25H25N3O4S/c1-16(27-31)22-21(12-15-33-22)17-4-8-19(9-5-17)25(13-2-3-14-25)24(30)26-20-10-6-18(7-11-20)23(29)28-32/h4-12,15,31-32H,2-3,13-14H2,1H3,(H,26,30)(H,28,29)/b27-16+
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50538664
PNG
(CHEMBL4644709)
Show SMILES ONC(=O)c1ccc(NC(=O)C2(CCCCC2)c2ccc3ccccc3c2)cc1
Show InChI InChI=1S/C24H24N2O3/c27-22(26-29)18-9-12-21(13-10-18)25-23(28)24(14-4-1-5-15-24)20-11-8-17-6-2-3-7-19(17)16-20/h2-3,6-13,16,29H,1,4-5,14-15H2,(H,25,28)(H,26,27)
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50538663
PNG
(CHEMBL4642874)
Show SMILES ONC(=O)c1ccc(NC(=O)C2(CCOCC2)c2ccc3ccccc3c2)cc1
Show InChI InChI=1S/C23H22N2O4/c26-21(25-28)17-6-9-20(10-7-17)24-22(27)23(11-13-29-14-12-23)19-8-5-16-3-1-2-4-18(16)15-19/h1-10,15,28H,11-14H2,(H,24,27)(H,25,26)
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50475233
PNG
(CHEMBL191091)
Show SMILES CC(C)C(C(=O)Nc1ccc(cc1)C(=O)NO)c1ccccc1
Show InChI InChI=1S/C18H20N2O3/c1-12(2)16(13-6-4-3-5-7-13)18(22)19-15-10-8-14(9-11-15)17(21)20-23/h3-12,16,23H,1-2H3,(H,19,22)(H,20,21)
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50538625
PNG
(CHEMBL4636734)
Show SMILES CN(C)c1ccc(cc1)C1(CCCC1)C(=O)Nc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C21H25N3O3/c1-24(2)18-11-7-16(8-12-18)21(13-3-4-14-21)20(26)22-17-9-5-15(6-10-17)19(25)23-27/h5-12,27H,3-4,13-14H2,1-2H3,(H,22,26)(H,23,25)
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50538658
PNG
(CHEMBL4634521)
Show SMILES ONC(=O)c1ccc(NC(=O)C2(CCOCC2)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C19H19BrN2O4/c20-15-5-3-14(4-6-15)19(9-11-26-12-10-19)18(24)21-16-7-1-13(2-8-16)17(23)22-25/h1-8,25H,9-12H2,(H,21,24)(H,22,23)
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n/an/a 59n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50538659
PNG
(CHEMBL4647881)
Show SMILES ONC(=O)c1ccc(NC(=O)C2(CCCCC2)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C20H21BrN2O3/c21-16-8-6-15(7-9-16)20(12-2-1-3-13-20)19(25)22-17-10-4-14(5-11-17)18(24)23-26/h4-11,26H,1-3,12-13H2,(H,22,25)(H,23,24)
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n/an/a 63n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50538657
PNG
(CHEMBL4639966)
Show SMILES ONC(=O)c1ccc(NC(=O)C2(CCCCC2)c2ccc(cc2)-c2cn[nH]c2)cc1
Show InChI InChI=1S/C23H24N4O3/c28-21(27-30)17-6-10-20(11-7-17)26-22(29)23(12-2-1-3-13-23)19-8-4-16(5-9-19)18-14-24-25-15-18/h4-11,14-15,30H,1-3,12-13H2,(H,24,25)(H,26,29)(H,27,28)
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50474685
PNG
(CHEMBL356824)
Show SMILES ONC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C15H14N2O3/c18-14(10-11-4-2-1-3-5-11)16-13-8-6-12(7-9-13)15(19)17-20/h1-9,20H,10H2,(H,16,18)(H,17,19)
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50475233
PNG
(CHEMBL191091)
Show SMILES CC(C)C(C(=O)Nc1ccc(cc1)C(=O)NO)c1ccccc1
Show InChI InChI=1S/C18H20N2O3/c1-12(2)16(13-6-4-3-5-7-13)18(22)19-15-10-8-14(9-11-15)17(21)20-23/h3-12,16,23H,1-2H3,(H,19,22)(H,20,21)
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n/an/a 87n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50538625
PNG
(CHEMBL4636734)
Show SMILES CN(C)c1ccc(cc1)C1(CCCC1)C(=O)Nc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C21H25N3O3/c1-24(2)18-11-7-16(8-12-18)21(13-3-4-14-21)20(26)22-17-9-5-15(6-10-17)19(25)23-27/h5-12,27H,3-4,13-14H2,1-2H3,(H,22,26)(H,23,25)
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50538614
PNG
(CHEMBL4646653)
Show SMILES ONC(=O)c1ccc(NC(=O)C2(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C17H16N2O3/c20-15(19-22)12-6-8-14(9-7-12)18-16(21)17(10-11-17)13-4-2-1-3-5-13/h1-9,22H,10-11H2,(H,18,21)(H,19,20)
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n/an/a 93n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50538648
PNG
(CHEMBL4640415)
Show SMILES ONC(=O)c1ccc(NC(=O)C2(CCCC2)c2ccc(cc2)-c2cccc(c2)C(O)=O)cc1
Show InChI InChI=1S/C26H24N2O5/c29-23(28-33)18-8-12-22(13-9-18)27-25(32)26(14-1-2-15-26)21-10-6-17(7-11-21)19-4-3-5-20(16-19)24(30)31/h3-13,16,33H,1-2,14-15H2,(H,27,32)(H,28,29)(H,30,31)
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50538620
PNG
(CHEMBL4643485)
Show SMILES ONC(=O)c1ccc(NC(=O)C2(CCCC2)c2ccccc2)nc1
Show InChI InChI=1S/C18H19N3O3/c22-16(21-24)13-8-9-15(19-12-13)20-17(23)18(10-4-5-11-18)14-6-2-1-3-7-14/h1-3,6-9,12,24H,4-5,10-11H2,(H,21,22)(H,19,20,23)
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50538663
PNG
(CHEMBL4642874)
Show SMILES ONC(=O)c1ccc(NC(=O)C2(CCOCC2)c2ccc3ccccc3c2)cc1
Show InChI InChI=1S/C23H22N2O4/c26-21(25-28)17-6-9-20(10-7-17)24-22(27)23(11-13-29-14-12-23)19-8-5-16-3-1-2-4-18(16)15-19/h1-10,15,28H,11-14H2,(H,24,27)(H,25,26)
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n/an/a 210n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC7 pre-incubated for 15 mins before Ac-Leu-Gly-Lys(trifluroAc)-AMC substrate addition and measured after 60 mins b...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50475226
PNG
(CHEMBL190727)
Show SMILES CC(C)(C(=O)Nc1ccc(cc1)C(=O)NO)c1ccccc1
Show InChI InChI=1S/C17H18N2O3/c1-17(2,13-6-4-3-5-7-13)16(21)18-14-10-8-12(9-11-14)15(20)19-22/h3-11,22H,1-2H3,(H,18,21)(H,19,20)
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50538624
PNG
(CHEMBL4649092)
Show SMILES ONC(=O)c1ccc(NC(=O)C2(CCCC2)c2ccc(c(F)c2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H18F4N2O3/c21-16-11-13(5-8-15(16)20(22,23)24)19(9-1-2-10-19)18(28)25-14-6-3-12(4-7-14)17(27)26-29/h3-8,11,29H,1-2,9-10H2,(H,25,28)(H,26,27)
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50538607
PNG
(CHEMBL4643874)
Show SMILES CC(C)C(C(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1N)c1ccccc1
Show InChI InChI=1S/C24H25N3O2/c1-16(2)22(17-8-4-3-5-9-17)24(29)26-19-14-12-18(13-15-19)23(28)27-21-11-7-6-10-20(21)25/h3-16,22H,25H2,1-2H3,(H,26,29)(H,27,28)
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50538646
PNG
(CHEMBL4634431)
Show SMILES ONC(=O)c1ccc(NC(=O)C2(CCCC2)c2ccc(cc2)-c2ccc(OCc3ccccc3)nc2)cc1
Show InChI InChI=1S/C31H29N3O4/c35-29(34-37)24-10-15-27(16-11-24)33-30(36)31(18-4-5-19-31)26-13-8-23(9-14-26)25-12-17-28(32-20-25)38-21-22-6-2-1-3-7-22/h1-3,6-17,20,37H,4-5,18-19,21H2,(H,33,36)(H,34,35)
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n/an/a 240n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50538610
PNG
(CHEMBL4634702)
Show SMILES ONC(=O)c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C21H18N2O3/c24-20(23-26)17-11-13-18(14-12-17)22-21(25)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19,26H,(H,22,25)(H,23,24)
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n/an/a 250n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50538658
PNG
(CHEMBL4634521)
Show SMILES ONC(=O)c1ccc(NC(=O)C2(CCOCC2)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C19H19BrN2O4/c20-15-5-3-14(4-6-15)19(9-11-26-12-10-19)18(24)21-16-7-1-13(2-8-16)17(23)22-25/h1-8,25H,9-12H2,(H,21,24)(H,22,23)
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n/an/a 270n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC7 pre-incubated for 15 mins before Ac-Leu-Gly-Lys(trifluroAc)-AMC substrate addition and measured after 60 mins b...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50538615
PNG
(CHEMBL4644987)
Show SMILES CCC(CC)(C(=O)Nc1ccc(cc1)C(=O)NO)c1ccccc1
Show InChI InChI=1S/C19H22N2O3/c1-3-19(4-2,15-8-6-5-7-9-15)18(23)20-16-12-10-14(11-13-16)17(22)21-24/h5-13,24H,3-4H2,1-2H3,(H,20,23)(H,21,22)
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n/an/a 430n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50538632
PNG
(CHEMBL4642444)
Show SMILES ONC(=O)c1ccc(NC(=O)C2(CCCC2)c2csc(n2)-c2ccccc2Oc2ccccc2)cc1
Show InChI InChI=1S/C28H25N3O4S/c32-25(31-34)19-12-14-20(15-13-19)29-27(33)28(16-6-7-17-28)24-18-36-26(30-24)22-10-4-5-11-23(22)35-21-8-2-1-3-9-21/h1-5,8-15,18,34H,6-7,16-17H2,(H,29,33)(H,31,32)
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n/an/a 431n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50538608
PNG
(CHEMBL4638986)
Show SMILES CC(C)C(C(=O)N(C)c1ccc(cc1)C(=O)NO)c1ccccc1
Show InChI InChI=1S/C19H22N2O3/c1-13(2)17(14-7-5-4-6-8-14)19(23)21(3)16-11-9-15(10-12-16)18(22)20-24/h4-13,17,24H,1-3H3,(H,20,22)
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n/an/a 439n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50538634
PNG
(CHEMBL4640356)
Show SMILES ONC(=O)c1ccc(NC(=O)C2(CCCC2)c2c[nH]c(n2)-c2ccccc2)cc1
Show InChI InChI=1S/C22H22N4O3/c27-20(26-29)16-8-10-17(11-9-16)24-21(28)22(12-4-5-13-22)18-14-23-19(25-18)15-6-2-1-3-7-15/h1-3,6-11,14,29H,4-5,12-13H2,(H,23,25)(H,24,28)(H,26,27)
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n/an/a 470n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC7 pre-incubated for 15 mins before Ac-Leu-Gly-Lys(trifluroAc)-AMC substrate addition and measured after 60 mins b...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50538657
PNG
(CHEMBL4639966)
Show SMILES ONC(=O)c1ccc(NC(=O)C2(CCCCC2)c2ccc(cc2)-c2cn[nH]c2)cc1
Show InChI InChI=1S/C23H24N4O3/c28-21(27-30)17-6-10-20(11-7-17)26-22(29)23(12-2-1-3-13-23)19-8-4-16(5-9-19)18-14-24-25-15-18/h4-11,14-15,30H,1-3,12-13H2,(H,24,25)(H,26,29)(H,27,28)
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n/an/a 570n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC7 pre-incubated for 15 mins before Ac-Leu-Gly-Lys(trifluroAc)-AMC substrate addition and measured after 60 mins b...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50474694
PNG
(CHEMBL142209)
Show SMILES CCCC(CCC)C(=O)Nc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C15H22N2O3/c1-3-5-11(6-4-2)14(18)16-13-9-7-12(8-10-13)15(19)17-20/h7-11,20H,3-6H2,1-2H3,(H,16,18)(H,17,19)
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n/an/a 738n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50475233
PNG
(CHEMBL191091)
Show SMILES CC(C)C(C(=O)Nc1ccc(cc1)C(=O)NO)c1ccccc1
Show InChI InChI=1S/C18H20N2O3/c1-12(2)16(13-6-4-3-5-7-13)18(22)19-15-10-8-14(9-11-15)17(21)20-23/h3-12,16,23H,1-2H3,(H,19,22)(H,20,21)
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n/an/a 770n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC7 pre-incubated for 15 mins before Ac-Leu-Gly-Lys(trifluroAc)-AMC substrate addition and measured after 60 mins b...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50538648
PNG
(CHEMBL4640415)
Show SMILES ONC(=O)c1ccc(NC(=O)C2(CCCC2)c2ccc(cc2)-c2cccc(c2)C(O)=O)cc1
Show InChI InChI=1S/C26H24N2O5/c29-23(28-33)18-8-12-22(13-9-18)27-25(32)26(14-1-2-15-26)21-10-6-17(7-11-21)19-4-3-5-20(16-19)24(30)31/h3-13,16,33H,1-2,14-15H2,(H,27,32)(H,28,29)(H,30,31)
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n/an/a 920n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC7 pre-incubated for 15 mins before Ac-Leu-Gly-Lys(trifluroAc)-AMC substrate addition and measured after 60 mins b...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50538612
PNG
(CHEMBL4636753)
Show SMILES CC(C)C(C(=O)Nc1ccc(cc1Cl)C(=O)NO)c1ccccc1
Show InChI InChI=1S/C18H19ClN2O3/c1-11(2)16(12-6-4-3-5-7-12)18(23)20-15-9-8-13(10-14(15)19)17(22)21-24/h3-11,16,24H,1-2H3,(H,20,23)(H,21,22)
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n/an/a 1.07E+3n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50538609
PNG
(CHEMBL4644157)
Show SMILES CC(C)C(NC(=O)c1ccc(cc1)C(=O)NO)c1ccccc1
Show InChI InChI=1S/C18H20N2O3/c1-12(2)16(13-6-4-3-5-7-13)19-17(21)14-8-10-15(11-9-14)18(22)20-23/h3-12,16,23H,1-2H3,(H,19,21)(H,20,22)
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n/an/a 2.12E+3n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50538625
PNG
(CHEMBL4636734)
Show SMILES CN(C)c1ccc(cc1)C1(CCCC1)C(=O)Nc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C21H25N3O3/c1-24(2)18-11-7-16(8-12-18)21(13-3-4-14-21)20(26)22-17-9-5-15(6-10-17)19(25)23-27/h5-12,27H,3-4,13-14H2,1-2H3,(H,22,26)(H,23,25)
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n/an/a 2.50E+3n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC7 pre-incubated for 15 mins before Ac-Leu-Gly-Lys(trifluroAc)-AMC substrate addition and measured after 60 mins b...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50538611
PNG
(CHEMBL4644462)
Show SMILES CC(C)C(C(=O)Nc1ccc(C(=O)NO)c(Cl)c1)c1ccccc1
Show InChI InChI=1S/C18H19ClN2O3/c1-11(2)16(12-6-4-3-5-7-12)18(23)20-13-8-9-14(15(19)10-13)17(22)21-24/h3-11,16,24H,1-2H3,(H,20,23)(H,21,22)
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n/an/a 8.68E+3n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50538633
PNG
(CHEMBL4633987)
Show SMILES ONC(=O)c1ccc(NC(=O)C2(CCCC2)c2csc(n2)-c2cccc(Oc3ccccc3)c2)cc1
Show InChI InChI=1S/C28H25N3O4S/c32-25(31-34)19-11-13-21(14-12-19)29-27(33)28(15-4-5-16-28)24-18-36-26(30-24)20-7-6-10-23(17-20)35-22-8-2-1-3-9-22/h1-3,6-14,17-18,34H,4-5,15-16H2,(H,29,33)(H,31,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50538658
PNG
(CHEMBL4634521)
Show SMILES ONC(=O)c1ccc(NC(=O)C2(CCOCC2)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C19H19BrN2O4/c20-15-5-3-14(4-6-15)19(9-11-26-12-10-19)18(24)21-16-7-1-13(2-8-16)17(23)22-25/h1-8,25H,9-12H2,(H,21,24)(H,22,23)
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n/an/an/an/a 600n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 in human MM96L cells assessed as activation of histone H4 acetylation at Lys5, Lys8, Lys12 and Lys16 residues by Western blot ana...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50475233
PNG
(CHEMBL191091)
Show SMILES CC(C)C(C(=O)Nc1ccc(cc1)C(=O)NO)c1ccccc1
Show InChI InChI=1S/C18H20N2O3/c1-12(2)16(13-6-4-3-5-7-13)18(22)19-15-10-8-14(9-11-15)17(21)20-23/h3-12,16,23H,1-2H3,(H,19,22)(H,20,21)
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n/an/an/an/a 1.80E+3n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 in human MM96L cells assessed as activation of histone H4 acetylation at Lys5, Lys8, Lys12 and Lys16 residues by Western blot ana...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50538663
PNG
(CHEMBL4642874)
Show SMILES ONC(=O)c1ccc(NC(=O)C2(CCOCC2)c2ccc3ccccc3c2)cc1
Show InChI InChI=1S/C23H22N2O4/c26-21(25-28)17-6-9-20(10-7-17)24-22(27)23(11-13-29-14-12-23)19-8-5-16-3-1-2-4-18(16)15-19/h1-10,15,28H,11-14H2,(H,24,27)(H,25,26)
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n/an/an/an/a 200n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 in human MM96L cells assessed as activation of histone H4 acetylation at Lys5, Lys8, Lys12 and Lys16 residues by Western blot ana...


J Med Chem 63: 5956-5971 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00230
BindingDB Entry DOI: 10.7270/Q2J969WB
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Ligand-Target Pair
* indicates data uncertainty>20%