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Compile Data Set for Download or QSAR

Found 69 hits Enz. Inhib. hit(s) with all data for entry = 50009209   
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))
BDBM50526157
PNG
(CHEMBL4550526)
Show SMILES CC(C)(C)OC(=O)Nc1cccc(c1)-c1csc(NC(=O)CCCCCC(=O)NO)n1
Show InChI InChI=1S/C21H28N4O5S/c1-21(2,3)30-20(28)22-15-9-7-8-14(12-15)16-13-31-19(23-16)24-17(26)10-5-4-6-11-18(27)25-29/h7-9,12-13,29H,4-6,10-11H2,1-3H3,(H,22,28)(H,25,27)(H,23,24,26)
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n/an/a<0.170n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) using (FAM)-labeled acetylated peptide as substrate measured after 17 hrs by fluorescence assay


Eur J Med Chem 166: 369-380 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.077
BindingDB Entry DOI: 10.7270/Q2K93BZT
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50526161
PNG
(CHEMBL4464421)
Show SMILES CCOC(=O)Nc1cccc(c1)-c1csc(NC(=O)CCCCCC(=O)NO)n1
Show InChI InChI=1S/C19H24N4O5S/c1-2-28-19(26)20-14-8-6-7-13(11-14)15-12-29-18(21-15)22-16(24)9-4-3-5-10-17(25)23-27/h6-8,11-12,27H,2-5,9-10H2,1H3,(H,20,26)(H,23,25)(H,21,22,24)
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n/an/a 0.790n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) using (FAM)-labeled acetylated peptide as substrate measured after 17 hrs by fluorescence assay


Eur J Med Chem 166: 369-380 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.077
BindingDB Entry DOI: 10.7270/Q2K93BZT
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50526161
PNG
(CHEMBL4464421)
Show SMILES CCOC(=O)Nc1cccc(c1)-c1csc(NC(=O)CCCCCC(=O)NO)n1
Show InChI InChI=1S/C19H24N4O5S/c1-2-28-19(26)20-14-8-6-7-13(11-14)15-12-29-18(21-15)22-16(24)9-4-3-5-10-17(25)23-27/h6-8,11-12,27H,2-5,9-10H2,1H3,(H,20,26)(H,23,25)(H,21,22,24)
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n/an/a 1.30n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 (unknown origin) using (FAM)-labeled acetylated peptide as substrate measured after 17 hrs by fluorescence assay


Eur J Med Chem 166: 369-380 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.077
BindingDB Entry DOI: 10.7270/Q2K93BZT
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50526157
PNG
(CHEMBL4550526)
Show SMILES CC(C)(C)OC(=O)Nc1cccc(c1)-c1csc(NC(=O)CCCCCC(=O)NO)n1
Show InChI InChI=1S/C21H28N4O5S/c1-21(2,3)30-20(28)22-15-9-7-8-14(12-15)16-13-31-19(23-16)24-17(26)10-5-4-6-11-18(27)25-29/h7-9,12-13,29H,4-6,10-11H2,1-3H3,(H,22,28)(H,25,27)(H,23,24,26)
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n/an/a 1.70n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 (unknown origin) using (FAM)-labeled acetylated peptide as substrate measured after 17 hrs by fluorescence assay


Eur J Med Chem 166: 369-380 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.077
BindingDB Entry DOI: 10.7270/Q2K93BZT
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50526156
PNG
(CHEMBL1630208 | WR301861)
Show SMILES Nc1cccc(c1)-c1csc(NC(=O)CCCCCC(=O)NO)n1
Show InChI InChI=1S/C16H20N4O3S/c17-12-6-4-5-11(9-12)13-10-24-16(18-13)19-14(21)7-2-1-3-8-15(22)20-23/h4-6,9-10,23H,1-3,7-8,17H2,(H,20,22)(H,18,19,21)
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n/an/a 2.10n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 (unknown origin) using (FAM)-labeled acetylated peptide as substrate measured after 17 hrs by fluorescence assay


Eur J Med Chem 166: 369-380 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.077
BindingDB Entry DOI: 10.7270/Q2K93BZT
More data for this
Ligand-Target Pair
Polyamine deacetylase HDAC10


(Homo sapiens (Human))
BDBM50526161
PNG
(CHEMBL4464421)
Show SMILES CCOC(=O)Nc1cccc(c1)-c1csc(NC(=O)CCCCCC(=O)NO)n1
Show InChI InChI=1S/C19H24N4O5S/c1-2-28-19(26)20-14-8-6-7-13(11-14)15-12-29-18(21-15)22-16(24)9-4-3-5-10-17(25)23-27/h6-8,11-12,27H,2-5,9-10H2,1H3,(H,20,26)(H,23,25)(H,21,22,24)
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n/an/a 2.10n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of HDAC10 (unknown origin) using (FAM)-labeled acetylated peptide as substrate measured after 17 hrs by fluorescence assay


Eur J Med Chem 166: 369-380 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.077
BindingDB Entry DOI: 10.7270/Q2K93BZT
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50526161
PNG
(CHEMBL4464421)
Show SMILES CCOC(=O)Nc1cccc(c1)-c1csc(NC(=O)CCCCCC(=O)NO)n1
Show InChI InChI=1S/C19H24N4O5S/c1-2-28-19(26)20-14-8-6-7-13(11-14)15-12-29-18(21-15)22-16(24)9-4-3-5-10-17(25)23-27/h6-8,11-12,27H,2-5,9-10H2,1H3,(H,20,26)(H,23,25)(H,21,22,24)
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n/an/a 2.5n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) using (FAM)-labeled acetylated peptide as substrate measured after 17 hrs by fluorescence assay


Eur J Med Chem 166: 369-380 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.077
BindingDB Entry DOI: 10.7270/Q2K93BZT
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50526156
PNG
(CHEMBL1630208 | WR301861)
Show SMILES Nc1cccc(c1)-c1csc(NC(=O)CCCCCC(=O)NO)n1
Show InChI InChI=1S/C16H20N4O3S/c17-12-6-4-5-11(9-12)13-10-24-16(18-13)19-14(21)7-2-1-3-8-15(22)20-23/h4-6,9-10,23H,1-3,7-8,17H2,(H,20,22)(H,18,19,21)
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n/an/a 3.30n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) using (FAM)-labeled acetylated peptide as substrate measured after 17 hrs by fluorescence assay


Eur J Med Chem 166: 369-380 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.077
BindingDB Entry DOI: 10.7270/Q2K93BZT
More data for this
Ligand-Target Pair
Polyamine deacetylase HDAC10


(Homo sapiens (Human))
BDBM50526156
PNG
(CHEMBL1630208 | WR301861)
Show SMILES Nc1cccc(c1)-c1csc(NC(=O)CCCCCC(=O)NO)n1
Show InChI InChI=1S/C16H20N4O3S/c17-12-6-4-5-11(9-12)13-10-24-16(18-13)19-14(21)7-2-1-3-8-15(22)20-23/h4-6,9-10,23H,1-3,7-8,17H2,(H,20,22)(H,18,19,21)
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n/an/a 3.70n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of HDAC10 (unknown origin) using (FAM)-labeled acetylated peptide as substrate measured after 17 hrs by fluorescence assay


Eur J Med Chem 166: 369-380 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.077
BindingDB Entry DOI: 10.7270/Q2K93BZT
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50526156
PNG
(CHEMBL1630208 | WR301861)
Show SMILES Nc1cccc(c1)-c1csc(NC(=O)CCCCCC(=O)NO)n1
Show InChI InChI=1S/C16H20N4O3S/c17-12-6-4-5-11(9-12)13-10-24-16(18-13)19-14(21)7-2-1-3-8-15(22)20-23/h4-6,9-10,23H,1-3,7-8,17H2,(H,20,22)(H,18,19,21)
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n/an/a 3.80n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) using (FAM)-labeled acetylated peptide as substrate measured after 17 hrs by fluorescence assay


Eur J Med Chem 166: 369-380 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.077
BindingDB Entry DOI: 10.7270/Q2K93BZT
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50526157
PNG
(CHEMBL4550526)
Show SMILES CC(C)(C)OC(=O)Nc1cccc(c1)-c1csc(NC(=O)CCCCCC(=O)NO)n1
Show InChI InChI=1S/C21H28N4O5S/c1-21(2,3)30-20(28)22-15-9-7-8-14(12-15)16-13-31-19(23-16)24-17(26)10-5-4-6-11-18(27)25-29/h7-9,12-13,29H,4-6,10-11H2,1-3H3,(H,22,28)(H,25,27)(H,23,24,26)
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n/an/a 4.20n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) using (FAM)-labeled acetylated peptide as substrate measured after 17 hrs by fluorescence assay


Eur J Med Chem 166: 369-380 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.077
BindingDB Entry DOI: 10.7270/Q2K93BZT
More data for this
Ligand-Target Pair
Polyamine deacetylase HDAC10


(Homo sapiens (Human))
BDBM50526157
PNG
(CHEMBL4550526)
Show SMILES CC(C)(C)OC(=O)Nc1cccc(c1)-c1csc(NC(=O)CCCCCC(=O)NO)n1
Show InChI InChI=1S/C21H28N4O5S/c1-21(2,3)30-20(28)22-15-9-7-8-14(12-15)16-13-31-19(23-16)24-17(26)10-5-4-6-11-18(27)25-29/h7-9,12-13,29H,4-6,10-11H2,1-3H3,(H,22,28)(H,25,27)(H,23,24,26)
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n/an/a 5.70n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of HDAC10 (unknown origin) using (FAM)-labeled acetylated peptide as substrate measured after 17 hrs by fluorescence assay


Eur J Med Chem 166: 369-380 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.077
BindingDB Entry DOI: 10.7270/Q2K93BZT
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50470576
PNG
(CHEMBL4294949)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CN2CC(=C)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C24H21N3O2/c1-16-14-27(24(29)20-7-3-2-6-19(16)20)15-17-10-12-18(13-11-17)23(28)26-22-9-5-4-8-21(22)25/h2-13H,1,14-15,25H2,(H,26,28)
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n/an/a 16n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3 using fluorescently-labeled acetylated histone peptide as substrate by microfluidic mobility shift assay


Eur J Med Chem 166: 369-380 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.077
BindingDB Entry DOI: 10.7270/Q2K93BZT
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50526157
PNG
(CHEMBL4550526)
Show SMILES CC(C)(C)OC(=O)Nc1cccc(c1)-c1csc(NC(=O)CCCCCC(=O)NO)n1
Show InChI InChI=1S/C21H28N4O5S/c1-21(2,3)30-20(28)22-15-9-7-8-14(12-15)16-13-31-19(23-16)24-17(26)10-5-4-6-11-18(27)25-29/h7-9,12-13,29H,4-6,10-11H2,1-3H3,(H,22,28)(H,25,27)(H,23,24,26)
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n/an/a 21n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 (unknown origin) using (FAM)-labeled acetylated peptide as substrate measured after 17 hrs by fluorescence assay


Eur J Med Chem 166: 369-380 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.077
BindingDB Entry DOI: 10.7270/Q2K93BZT
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50526161
PNG
(CHEMBL4464421)
Show SMILES CCOC(=O)Nc1cccc(c1)-c1csc(NC(=O)CCCCCC(=O)NO)n1
Show InChI InChI=1S/C19H24N4O5S/c1-2-28-19(26)20-14-8-6-7-13(11-14)15-12-29-18(21-15)22-16(24)9-4-3-5-10-17(25)23-27/h6-8,11-12,27H,2-5,9-10H2,1H3,(H,20,26)(H,23,25)(H,21,22,24)
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n/an/a 25n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 (unknown origin) using (FAM)-labeled acetylated peptide as substrate measured after 17 hrs by fluorescence assay


Eur J Med Chem 166: 369-380 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.077
BindingDB Entry DOI: 10.7270/Q2K93BZT
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50526156
PNG
(CHEMBL1630208 | WR301861)
Show SMILES Nc1cccc(c1)-c1csc(NC(=O)CCCCCC(=O)NO)n1
Show InChI InChI=1S/C16H20N4O3S/c17-12-6-4-5-11(9-12)13-10-24-16(18-13)19-14(21)7-2-1-3-8-15(22)20-23/h4-6,9-10,23H,1-3,7-8,17H2,(H,20,22)(H,18,19,21)
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n/an/a 27n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 (unknown origin) using (FAM)-labeled acetylated peptide as substrate measured after 17 hrs by fluorescence assay


Eur J Med Chem 166: 369-380 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.077
BindingDB Entry DOI: 10.7270/Q2K93BZT
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50526158
PNG
(CHEMBL4548759)
Show SMILES CC(=O)Nc1cccc(c1)-c1csc(NC(=O)CCCCCC(=O)Nc2ccccc2N)n1
Show InChI InChI=1S/C24H27N5O3S/c1-16(30)26-18-9-7-8-17(14-18)21-15-33-24(28-21)29-23(32)13-4-2-3-12-22(31)27-20-11-6-5-10-19(20)25/h5-11,14-15H,2-4,12-13,25H2,1H3,(H,26,30)(H,27,31)(H,28,29,32)
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n/an/a 30n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 (unknown origin) using (FAM)-labeled acetylated peptide as substrate measured after 17 hrs by fluorescence assay


Eur J Med Chem 166: 369-380 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.077
BindingDB Entry DOI: 10.7270/Q2K93BZT
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50470576
PNG
(CHEMBL4294949)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CN2CC(=C)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C24H21N3O2/c1-16-14-27(24(29)20-7-3-2-6-19(16)20)15-17-10-12-18(13-11-17)23(28)26-22-9-5-4-8-21(22)25/h2-13H,1,14-15,25H2,(H,26,28)
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n/an/a 30n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC2 using fluorescently-labeled acetylated histone peptide as substrate by microfluidic mobility shift assay


Eur J Med Chem 166: 369-380 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.077
BindingDB Entry DOI: 10.7270/Q2K93BZT
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM19422
PNG
(4-(acetylamino)-N-(2-amino-phenyl) benzamide | CI-...)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1N
Show InChI InChI=1S/C15H15N3O2/c1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16/h2-9H,16H2,1H3,(H,17,19)(H,18,20)
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Article
PubMed
n/an/a 41n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length C-terminal His/FALG-tagged HDAC1 expressed in Sf9 insect cells using FAM-labeled acetylated peptide A as ...


Eur J Med Chem 166: 369-380 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.077
BindingDB Entry DOI: 10.7270/Q2K93BZT
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM19422
PNG
(4-(acetylamino)-N-(2-amino-phenyl) benzamide | CI-...)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1N
Show InChI InChI=1S/C15H15N3O2/c1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16/h2-9H,16H2,1H3,(H,17,19)(H,18,20)
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n/an/a 46n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length HDAC3 using FAM-labeled acetylated peptide A as substrate preincubated for 3 hrs followed by substrate ad...


Eur J Med Chem 166: 369-380 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.077
BindingDB Entry DOI: 10.7270/Q2K93BZT
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50526159
PNG
(CHEMBL4551095)
Show SMILES CCOC(=O)Nc1cccc(c1)-c1csc(NC(=O)CCCCCC(=O)Nc2ccccc2N)n1
Show InChI InChI=1S/C25H29N5O4S/c1-2-34-25(33)27-18-10-8-9-17(15-18)21-16-35-24(29-21)30-23(32)14-5-3-4-13-22(31)28-20-12-7-6-11-19(20)26/h6-12,15-16H,2-5,13-14,26H2,1H3,(H,27,33)(H,28,31)(H,29,30,32)
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n/an/a 60n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 (unknown origin) using (FAM)-labeled acetylated peptide as substrate measured after 17 hrs by fluorescence assay


Eur J Med Chem 166: 369-380 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.077
BindingDB Entry DOI: 10.7270/Q2K93BZT
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50526155
PNG
(CHEMBL4593729)
Show SMILES Nc1cccc(c1)-c1csc(NC(=O)CCCCCC(=O)Nc2ccccc2N)n1
Show InChI InChI=1S/C22H25N5O2S/c23-16-8-6-7-15(13-16)19-14-30-22(26-19)27-21(29)12-3-1-2-11-20(28)25-18-10-5-4-9-17(18)24/h4-10,13-14H,1-3,11-12,23-24H2,(H,25,28)(H,26,27,29)
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n/an/a 60n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 (unknown origin) using (FAM)-labeled acetylated peptide as substrate measured after 17 hrs by fluorescence assay


Eur J Med Chem 166: 369-380 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.077
BindingDB Entry DOI: 10.7270/Q2K93BZT
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM178100
PNG
(BRD3308 | US11377423, Cmpd 1)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1ccc(F)cc1N
Show InChI InChI=1S/C15H14FN3O2/c1-9(20)18-12-5-2-10(3-6-12)15(21)19-14-7-4-11(16)8-13(14)17/h2-8H,17H2,1H3,(H,18,20)(H,19,21)
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n/an/a 64n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length HDAC3 using FAM-labeled acetylated peptide A as substrate preincubated for 3 hrs followed by substrate ad...


Eur J Med Chem 166: 369-380 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.077
BindingDB Entry DOI: 10.7270/Q2K93BZT
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50254774
PNG
(CHEMBL277805)
Show SMILES Nc1ccccc1NC(=O)CCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C19H23N3O2/c20-16-11-7-8-12-17(16)22-19(24)14-6-2-5-13-18(23)21-15-9-3-1-4-10-15/h1,3-4,7-12H,2,5-6,13-14,20H2,(H,21,23)(H,22,24)
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n/an/a 69n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 (unknown origin)


Eur J Med Chem 166: 369-380 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.077
BindingDB Entry DOI: 10.7270/Q2K93BZT
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50526155
PNG
(CHEMBL4593729)
Show SMILES Nc1cccc(c1)-c1csc(NC(=O)CCCCCC(=O)Nc2ccccc2N)n1
Show InChI InChI=1S/C22H25N5O2S/c23-16-8-6-7-15(13-16)19-14-30-22(26-19)27-21(29)12-3-1-2-11-20(28)25-18-10-5-4-9-17(18)24/h4-10,13-14H,1-3,11-12,23-24H2,(H,25,28)(H,26,27,29)
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n/an/a 147n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 (unknown origin) using (FAM)-labeled acetylated peptide as substrate measured after 17 hrs by fluorescence assay


Eur J Med Chem 166: 369-380 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.077
BindingDB Entry DOI: 10.7270/Q2K93BZT
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM19422
PNG
(4-(acetylamino)-N-(2-amino-phenyl) benzamide | CI-...)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1N
Show InChI InChI=1S/C15H15N3O2/c1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16/h2-9H,16H2,1H3,(H,17,19)(H,18,20)
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n/an/a 147n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length C-terminal FLAG-tagged HDAC2 expressed in Sf9 insect cells using FAM-labeled acetylated peptide A as subs...


Eur J Med Chem 166: 369-380 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.077
BindingDB Entry DOI: 10.7270/Q2K93BZT
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50526160
PNG
(CHEMBL4545091)
Show SMILES CC(C)(C)OC(=O)Nc1cccc(c1)-c1csc(NC(=O)CCCCCC(=O)Nc2ccccc2N)n1
Show InChI InChI=1S/C27H33N5O4S/c1-27(2,3)36-26(35)29-19-11-9-10-18(16-19)22-17-37-25(31-22)32-24(34)15-6-4-5-14-23(33)30-21-13-8-7-12-20(21)28/h7-13,16-17H,4-6,14-15,28H2,1-3H3,(H,29,35)(H,30,33)(H,31,32,34)
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n/an/a 160n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 (unknown origin) using (FAM)-labeled acetylated peptide as substrate measured after 17 hrs by fluorescence assay


Eur J Med Chem 166: 369-380 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.077
BindingDB Entry DOI: 10.7270/Q2K93BZT
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50254774
PNG
(CHEMBL277805)
Show SMILES Nc1ccccc1NC(=O)CCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C19H23N3O2/c20-16-11-7-8-12-17(16)22-19(24)14-6-2-5-13-18(23)21-15-9-3-1-4-10-15/h1,3-4,7-12H,2,5-6,13-14,20H2,(H,21,23)(H,22,24)
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n/an/a 199n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin)


Eur J Med Chem 166: 369-380 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.077
BindingDB Entry DOI: 10.7270/Q2K93BZT
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50526158
PNG
(CHEMBL4548759)
Show SMILES CC(=O)Nc1cccc(c1)-c1csc(NC(=O)CCCCCC(=O)Nc2ccccc2N)n1
Show InChI InChI=1S/C24H27N5O3S/c1-16(30)26-18-9-7-8-17(14-18)21-15-33-24(28-21)29-23(32)13-4-2-3-12-22(31)27-20-11-6-5-10-19(20)25/h5-11,14-15H,2-4,12-13,25H2,1H3,(H,26,30)(H,27,31)(H,28,29,32)
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n/an/a 200n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 (unknown origin) using (FAM)-labeled acetylated peptide as substrate measured after 17 hrs by fluorescence assay


Eur J Med Chem 166: 369-380 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.077
BindingDB Entry DOI: 10.7270/Q2K93BZT
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens (Human))
BDBM50121210
PNG
(CHEMBL3622374)
Show SMILES Nc1ccccc1NC(=O)c1ccc(cc1)-c1cn(CCc2ccsc2)nn1
Show InChI InChI=1S/C21H19N5OS/c22-18-3-1-2-4-19(18)23-21(27)17-7-5-16(6-8-17)20-13-26(25-24-20)11-9-15-10-12-28-14-15/h1-8,10,12-14H,9,11,22H2,(H,23,27)
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n/an/a 240n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3/GST-tagged NCOR1 DAD (397 to 503 residues) expressed in baculovirus expression system by fluorescence assay


Eur J Med Chem 166: 369-380 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.077
BindingDB Entry DOI: 10.7270/Q2K93BZT
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens (Human))
BDBM50121211
PNG
(CHEMBL3622375)
Show SMILES Nc1ccccc1NC(=O)c1ccc(s1)-c1cn(CCc2cccc(c2)[N+]([O-])=O)nn1
Show InChI InChI=1S/C21H18N6O3S/c22-16-6-1-2-7-17(16)23-21(28)20-9-8-19(31-20)18-13-26(25-24-18)11-10-14-4-3-5-15(12-14)27(29)30/h1-9,12-13H,10-11,22H2,(H,23,28)
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n/an/a 260n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3/GST-tagged NCOR1 DAD (397 to 503 residues) expressed in baculovirus expression system by fluorescence assay


Eur J Med Chem 166: 369-380 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.077
BindingDB Entry DOI: 10.7270/Q2K93BZT
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50470567
PNG
(CHEMBL4283263)
Show SMILES Nc1ccccc1NC(=O)c1cnccn1
Show InChI InChI=1S/C11H10N4O/c12-8-3-1-2-4-9(8)15-11(16)10-7-13-5-6-14-10/h1-7H,12H2,(H,15,16)
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n/an/a 289n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length HDAC3 using (S)-6-acetamido-2-(2-((S)-2-acetamido-4-methylpentanamido)acetamido)-N-(4-methyl-2-oxo-2H-chr...


Eur J Med Chem 166: 369-380 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.077
BindingDB Entry DOI: 10.7270/Q2K93BZT
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50526161
PNG
(CHEMBL4464421)
Show SMILES CCOC(=O)Nc1cccc(c1)-c1csc(NC(=O)CCCCCC(=O)NO)n1
Show InChI InChI=1S/C19H24N4O5S/c1-2-28-19(26)20-14-8-6-7-13(11-14)15-12-29-18(21-15)22-16(24)9-4-3-5-10-17(25)23-27/h6-8,11-12,27H,2-5,9-10H2,1H3,(H,20,26)(H,23,25)(H,21,22,24)
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n/an/a 787n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 (unknown origin) using (FAM)-labeled acetylated peptide as substrate measured after 17 hrs by fluorescence assay


Eur J Med Chem 166: 369-380 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.077
BindingDB Entry DOI: 10.7270/Q2K93BZT
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50526159
PNG
(CHEMBL4551095)
Show SMILES CCOC(=O)Nc1cccc(c1)-c1csc(NC(=O)CCCCCC(=O)Nc2ccccc2N)n1
Show InChI InChI=1S/C25H29N5O4S/c1-2-34-25(33)27-18-10-8-9-17(15-18)21-16-35-24(29-21)30-23(32)14-5-3-4-13-22(31)28-20-12-7-6-11-19(20)26/h6-12,15-16H,2-5,13-14,26H2,1H3,(H,27,33)(H,28,31)(H,29,30,32)
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n/an/a 880n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 (unknown origin) using (FAM)-labeled acetylated peptide as substrate measured after 17 hrs by fluorescence assay


Eur J Med Chem 166: 369-380 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.077
BindingDB Entry DOI: 10.7270/Q2K93BZT
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM178100
PNG
(BRD3308 | US11377423, Cmpd 1)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1ccc(F)cc1N
Show InChI InChI=1S/C15H14FN3O2/c1-9(20)18-12-5-2-10(3-6-12)15(21)19-14-7-4-11(16)8-13(14)17/h2-8H,17H2,1H3,(H,18,20)(H,19,21)
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n/an/a 1.08E+3n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length C-terminal His/FALG-tagged HDAC1 expressed in Sf9 insect cells using FAM-labeled acetylated peptide A as ...


Eur J Med Chem 166: 369-380 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.077
BindingDB Entry DOI: 10.7270/Q2K93BZT
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50526160
PNG
(CHEMBL4545091)
Show SMILES CC(C)(C)OC(=O)Nc1cccc(c1)-c1csc(NC(=O)CCCCCC(=O)Nc2ccccc2N)n1
Show InChI InChI=1S/C27H33N5O4S/c1-27(2,3)36-26(35)29-19-11-9-10-18(16-19)22-17-37-25(31-22)32-24(34)15-6-4-5-14-23(33)30-21-13-8-7-12-20(21)28/h7-13,16-17H,4-6,14-15,28H2,1-3H3,(H,29,35)(H,30,33)(H,31,32,34)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 (unknown origin) using (FAM)-labeled acetylated peptide as substrate measured after 17 hrs by fluorescence assay


Eur J Med Chem 166: 369-380 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.077
BindingDB Entry DOI: 10.7270/Q2K93BZT
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM178100
PNG
(BRD3308 | US11377423, Cmpd 1)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1ccc(F)cc1N
Show InChI InChI=1S/C15H14FN3O2/c1-9(20)18-12-5-2-10(3-6-12)15(21)19-14-7-4-11(16)8-13(14)17/h2-8H,17H2,1H3,(H,18,20)(H,19,21)
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n/an/a 1.15E+3n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length C-terminal FLAG-tagged HDAC2 expressed in Sf9 insect cells using FAM-labeled acetylated peptide A as subs...


Eur J Med Chem 166: 369-380 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.077
BindingDB Entry DOI: 10.7270/Q2K93BZT
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50526160
PNG
(CHEMBL4545091)
Show SMILES CC(C)(C)OC(=O)Nc1cccc(c1)-c1csc(NC(=O)CCCCCC(=O)Nc2ccccc2N)n1
Show InChI InChI=1S/C27H33N5O4S/c1-27(2,3)36-26(35)29-19-11-9-10-18(16-19)22-17-37-25(31-22)32-24(34)15-6-4-5-14-23(33)30-21-13-8-7-12-20(21)28/h7-13,16-17H,4-6,14-15,28H2,1-3H3,(H,29,35)(H,30,33)(H,31,32,34)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) using (FAM)-labeled acetylated peptide as substrate measured after 17 hrs by fluorescence assay


Eur J Med Chem 166: 369-380 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.077
BindingDB Entry DOI: 10.7270/Q2K93BZT
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50254774
PNG
(CHEMBL277805)
Show SMILES Nc1ccccc1NC(=O)CCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C19H23N3O2/c20-16-11-7-8-12-17(16)22-19(24)14-6-2-5-13-18(23)21-15-9-3-1-4-10-15/h1,3-4,7-12H,2,5-6,13-14,20H2,(H,21,23)(H,22,24)
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n/an/a 1.59E+3n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 (unknown origin)


Eur J Med Chem 166: 369-380 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.077
BindingDB Entry DOI: 10.7270/Q2K93BZT
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50526156
PNG
(CHEMBL1630208 | WR301861)
Show SMILES Nc1cccc(c1)-c1csc(NC(=O)CCCCCC(=O)NO)n1
Show InChI InChI=1S/C16H20N4O3S/c17-12-6-4-5-11(9-12)13-10-24-16(18-13)19-14(21)7-2-1-3-8-15(22)20-23/h4-6,9-10,23H,1-3,7-8,17H2,(H,20,22)(H,18,19,21)
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n/an/a 1.95E+3n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 (unknown origin) using (FAM)-labeled acetylated peptide as substrate measured after 17 hrs by fluorescence assay


Eur J Med Chem 166: 369-380 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.077
BindingDB Entry DOI: 10.7270/Q2K93BZT
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50470567
PNG
(CHEMBL4283263)
Show SMILES Nc1ccccc1NC(=O)c1cnccn1
Show InChI InChI=1S/C11H10N4O/c12-8-3-1-2-4-9(8)15-11(16)10-7-13-5-6-14-10/h1-7H,12H2,(H,15,16)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length C-terminal His/FALG-tagged HDAC1 expressed in Sf9 insect cells using (S)-6-acetamido-2-(2-((S)-2-acetamid...


Eur J Med Chem 166: 369-380 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.077
BindingDB Entry DOI: 10.7270/Q2K93BZT
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50470567
PNG
(CHEMBL4283263)
Show SMILES Nc1ccccc1NC(=O)c1cnccn1
Show InChI InChI=1S/C11H10N4O/c12-8-3-1-2-4-9(8)15-11(16)10-7-13-5-6-14-10/h1-7H,12H2,(H,15,16)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length C-terminal FLAG-tagged HDAC2 expressed in Sf9 insect cells using (S)-6-acetamido-2-(2-((S)-2-acetamido-4-...


Eur J Med Chem 166: 369-380 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.077
BindingDB Entry DOI: 10.7270/Q2K93BZT
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50526155
PNG
(CHEMBL4593729)
Show SMILES Nc1cccc(c1)-c1csc(NC(=O)CCCCCC(=O)Nc2ccccc2N)n1
Show InChI InChI=1S/C22H25N5O2S/c23-16-8-6-7-15(13-16)19-14-30-22(26-19)27-21(29)12-3-1-2-11-20(28)25-18-10-5-4-9-17(18)24/h4-10,13-14H,1-3,11-12,23-24H2,(H,25,28)(H,26,27,29)
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n/an/a 2.49E+3n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) using (FAM)-labeled acetylated peptide as substrate measured after 17 hrs by fluorescence assay


Eur J Med Chem 166: 369-380 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.077
BindingDB Entry DOI: 10.7270/Q2K93BZT
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50526157
PNG
(CHEMBL4550526)
Show SMILES CC(C)(C)OC(=O)Nc1cccc(c1)-c1csc(NC(=O)CCCCCC(=O)NO)n1
Show InChI InChI=1S/C21H28N4O5S/c1-21(2,3)30-20(28)22-15-9-7-8-14(12-15)16-13-31-19(23-16)24-17(26)10-5-4-6-11-18(27)25-29/h7-9,12-13,29H,4-6,10-11H2,1-3H3,(H,22,28)(H,25,27)(H,23,24,26)
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n/an/a 2.58E+3n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 (unknown origin) using (FAM)-labeled acetylated peptide as substrate measured after 17 hrs by fluorescence assay


Eur J Med Chem 166: 369-380 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.077
BindingDB Entry DOI: 10.7270/Q2K93BZT
More data for this
Ligand-Target Pair
Polyamine deacetylase HDAC10


(Homo sapiens (Human))
BDBM50526155
PNG
(CHEMBL4593729)
Show SMILES Nc1cccc(c1)-c1csc(NC(=O)CCCCCC(=O)Nc2ccccc2N)n1
Show InChI InChI=1S/C22H25N5O2S/c23-16-8-6-7-15(13-16)19-14-30-22(26-19)27-21(29)12-3-1-2-11-20(28)25-18-10-5-4-9-17(18)24/h4-10,13-14H,1-3,11-12,23-24H2,(H,25,28)(H,26,27,29)
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n/an/a 2.91E+3n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of HDAC10 (unknown origin) using (FAM)-labeled acetylated peptide as substrate measured after 17 hrs by fluorescence assay


Eur J Med Chem 166: 369-380 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.077
BindingDB Entry DOI: 10.7270/Q2K93BZT
More data for this
Ligand-Target Pair
Polyamine deacetylase HDAC10


(Homo sapiens (Human))
BDBM50526158
PNG
(CHEMBL4548759)
Show SMILES CC(=O)Nc1cccc(c1)-c1csc(NC(=O)CCCCCC(=O)Nc2ccccc2N)n1
Show InChI InChI=1S/C24H27N5O3S/c1-16(30)26-18-9-7-8-17(14-18)21-15-33-24(28-21)29-23(32)13-4-2-3-12-22(31)27-20-11-6-5-10-19(20)25/h5-11,14-15H,2-4,12-13,25H2,1H3,(H,26,30)(H,27,31)(H,28,29,32)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of HDAC10 (unknown origin) using (FAM)-labeled acetylated peptide as substrate measured after 17 hrs by fluorescence assay


Eur J Med Chem 166: 369-380 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.077
BindingDB Entry DOI: 10.7270/Q2K93BZT
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50526158
PNG
(CHEMBL4548759)
Show SMILES CC(=O)Nc1cccc(c1)-c1csc(NC(=O)CCCCCC(=O)Nc2ccccc2N)n1
Show InChI InChI=1S/C24H27N5O3S/c1-16(30)26-18-9-7-8-17(14-18)21-15-33-24(28-21)29-23(32)13-4-2-3-12-22(31)27-20-11-6-5-10-19(20)25/h5-11,14-15H,2-4,12-13,25H2,1H3,(H,26,30)(H,27,31)(H,28,29,32)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) using (FAM)-labeled acetylated peptide as substrate measured after 17 hrs by fluorescence assay


Eur J Med Chem 166: 369-380 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.077
BindingDB Entry DOI: 10.7270/Q2K93BZT
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50470576
PNG
(CHEMBL4294949)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CN2CC(=C)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C24H21N3O2/c1-16-14-27(24(29)20-7-3-2-6-19(16)20)15-17-10-12-18(13-11-17)23(28)26-22-9-5-4-8-21(22)25/h2-13H,1,14-15,25H2,(H,26,28)
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n/an/a 4.10E+3n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC7 using fluorescently-labeled acetylated histone peptide as substrate by microfluidic mobility shift assay


Eur J Med Chem 166: 369-380 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.077
BindingDB Entry DOI: 10.7270/Q2K93BZT
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50526160
PNG
(CHEMBL4545091)
Show SMILES CC(C)(C)OC(=O)Nc1cccc(c1)-c1csc(NC(=O)CCCCCC(=O)Nc2ccccc2N)n1
Show InChI InChI=1S/C27H33N5O4S/c1-27(2,3)36-26(35)29-19-11-9-10-18(16-19)22-17-37-25(31-22)32-24(34)15-6-4-5-14-23(33)30-21-13-8-7-12-20(21)28/h7-13,16-17H,4-6,14-15,28H2,1-3H3,(H,29,35)(H,30,33)(H,31,32,34)
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n/an/a 4.20E+3n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) using (FAM)-labeled acetylated peptide as substrate measured after 17 hrs by fluorescence assay


Eur J Med Chem 166: 369-380 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.077
BindingDB Entry DOI: 10.7270/Q2K93BZT
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50470576
PNG
(CHEMBL4294949)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CN2CC(=C)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C24H21N3O2/c1-16-14-27(24(29)20-7-3-2-6-19(16)20)15-17-10-12-18(13-11-17)23(28)26-22-9-5-4-8-21(22)25/h2-13H,1,14-15,25H2,(H,26,28)
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n/an/a 4.80E+3n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using fluorescently-labeled acetylated histone peptide as substrate by microfluidic mobility shift assay


Eur J Med Chem 166: 369-380 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.077
BindingDB Entry DOI: 10.7270/Q2K93BZT
More data for this
Ligand-Target Pair
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