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PubMed code 27377864

Compile data set for download or QSAR
Found 55 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))
BDBM19423
PNG
(HDAC inhibitor, Compound 1 | N-[2-amino-5-(thiophe...)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1
Show InChI InChI=1S/C19H17N3O2S/c1-12(23)21-15-7-4-13(5-8-15)19(24)22-17-11-14(6-9-16(17)20)18-3-2-10-25-18/h2-11H,20H2,1H3,(H,21,23)(H,22,24)
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<0.200n/an/an/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged and C-terminal FLAG-tagged full length human recombinant HDAC1 expressed in baculovirus coexpressed in fall armyw...


Bioorg Med Chem 24: 4008-4015 (2016)


Article DOI: 10.1016/j.bmc.2016.06.040
BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 2


(Homo sapiens (human))
BDBM19423
PNG
(HDAC inhibitor, Compound 1 | N-[2-amino-5-(thiophe...)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1
Show InChI InChI=1S/C19H17N3O2S/c1-12(23)21-15-7-4-13(5-8-15)19(24)22-17-11-14(6-9-16(17)20)18-3-2-10-25-18/h2-11H,20H2,1H3,(H,21,23)(H,22,24)
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1.5n/an/an/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition full length human recombinant HDAC2 expressed in baculovirus coexpressed in fall armyworm Sf9 cells using carboxyfluorescein (FAM)-labeled...


Bioorg Med Chem 24: 4008-4015 (2016)


Article DOI: 10.1016/j.bmc.2016.06.040
BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 1


(Homo sapiens (human))
BDBM50189903
PNG
(CHEMBL3828396)
Show SMILES Nc1ccc(cc1NC(=O)C1CCOCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H19FN2O2/c19-15-4-1-12(2-5-15)14-3-6-16(20)17(11-14)21-18(22)13-7-9-23-10-8-13/h1-6,11,13H,7-10,20H2,(H,21,22)
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84n/an/an/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged and C-terminal FLAG-tagged full length human recombinant HDAC1 expressed in baculovirus coexpressed in fall armyw...


Bioorg Med Chem 24: 4008-4015 (2016)


Article DOI: 10.1016/j.bmc.2016.06.040
BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 1


(Homo sapiens (human))
BDBM50189911
PNG
(CHEMBL3827611)
Show SMILES Nc1ccc(cc1NC(=O)[C@H]1C[C@@H]2CC[C@H](C1)O2)-c1ccc(F)cc1
Show InChI InChI=1S/C20H21FN2O2/c21-15-4-1-12(2-5-15)13-3-8-18(22)19(11-13)23-20(24)14-9-16-6-7-17(10-14)25-16/h1-5,8,11,14,16-17H,6-7,9-10,22H2,(H,23,24)/t14-,16-,17+
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176n/an/an/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged and C-terminal FLAG-tagged full length human recombinant HDAC1 expressed in baculovirus coexpressed in fall armyw...


Bioorg Med Chem 24: 4008-4015 (2016)


Article DOI: 10.1016/j.bmc.2016.06.040
BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 3


(Homo sapiens (human))
BDBM19423
PNG
(HDAC inhibitor, Compound 1 | N-[2-amino-5-(thiophe...)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1
Show InChI InChI=1S/C19H17N3O2S/c1-12(23)21-15-7-4-13(5-8-15)19(24)22-17-11-14(6-9-16(17)20)18-3-2-10-25-18/h2-11H,20H2,1H3,(H,21,23)(H,22,24)
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500n/an/an/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition full length human recombinant HDAC3 expressed in baculovirus using carboxyfluorescein (FAM)-labeled acetylated/ trifluoroacetylated peptid...


Bioorg Med Chem 24: 4008-4015 (2016)


Article DOI: 10.1016/j.bmc.2016.06.040
BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (human))
BDBM50189911
PNG
(CHEMBL3827611)
Show SMILES Nc1ccc(cc1NC(=O)[C@H]1C[C@@H]2CC[C@H](C1)O2)-c1ccc(F)cc1
Show InChI InChI=1S/C20H21FN2O2/c21-15-4-1-12(2-5-15)13-3-8-18(22)19(11-13)23-20(24)14-9-16-6-7-17(10-14)25-16/h1-5,8,11,14,16-17H,6-7,9-10,22H2,(H,23,24)/t14-,16-,17+
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519n/an/an/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition full length human recombinant HDAC2 expressed in baculovirus coexpressed in fall armyworm Sf9 cells using carboxyfluorescein (FAM)-labeled...


Bioorg Med Chem 24: 4008-4015 (2016)


Article DOI: 10.1016/j.bmc.2016.06.040
BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 3


(Homo sapiens (human))
BDBM50189903
PNG
(CHEMBL3828396)
Show SMILES Nc1ccc(cc1NC(=O)C1CCOCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H19FN2O2/c19-15-4-1-12(2-5-15)14-3-6-16(20)17(11-14)21-18(22)13-7-9-23-10-8-13/h1-6,11,13H,7-10,20H2,(H,21,22)
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2.08E+3n/an/an/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition full length human recombinant HDAC3 expressed in baculovirus using carboxyfluorescein (FAM)-labeled acetylated/ trifluoroacetylated peptid...


Bioorg Med Chem 24: 4008-4015 (2016)


Article DOI: 10.1016/j.bmc.2016.06.040
BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair
Histone deacetylase 1


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



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged and C-terminal FLAG-tagged full length human recombinant HDAC1 expressed in baculovirus coexpressed in fall armyw...


Bioorg Med Chem 24: 4008-4015 (2016)


Article DOI: 10.1016/j.bmc.2016.06.040
BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM19423
PNG
(HDAC inhibitor, Compound 1 | N-[2-amino-5-(thiophe...)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1
Show InChI InChI=1S/C19H17N3O2S/c1-12(23)21-15-7-4-13(5-8-15)19(24)22-17-11-14(6-9-16(17)20)18-3-2-10-25-18/h2-11H,20H2,1H3,(H,21,23)(H,22,24)
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n/an/a 1n/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged and C-terminal FLAG-tagged full length human recombinant HDAC1 expressed in baculovirus coexpressed in fall armyw...


Bioorg Med Chem 24: 4008-4015 (2016)


Article DOI: 10.1016/j.bmc.2016.06.040
BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 3


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



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition full length human recombinant HDAC3 expressed in baculovirus using carboxyfluorescein (FAM)-labeled acetylated/ trifluoroacetylated peptid...


Bioorg Med Chem 24: 4008-4015 (2016)


Article DOI: 10.1016/j.bmc.2016.06.040
BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair
Histone deacetylase 2


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



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition full length human recombinant HDAC2 expressed in baculovirus coexpressed in fall armyworm Sf9 cells using carboxyfluorescein (FAM)-labeled...


Bioorg Med Chem 24: 4008-4015 (2016)


Article DOI: 10.1016/j.bmc.2016.06.040
BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair
Histone deacetylase 6


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



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 expressed in baculovirus coexpressed in fall armyworm Sf9 cells using carboxyfluorescein (FAM)-labeled acetylat...


Bioorg Med Chem 24: 4008-4015 (2016)


Article DOI: 10.1016/j.bmc.2016.06.040
BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (human))
BDBM19423
PNG
(HDAC inhibitor, Compound 1 | N-[2-amino-5-(thiophe...)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1
Show InChI InChI=1S/C19H17N3O2S/c1-12(23)21-15-7-4-13(5-8-15)19(24)22-17-11-14(6-9-16(17)20)18-3-2-10-25-18/h2-11H,20H2,1H3,(H,21,23)(H,22,24)
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n/an/a 13n/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition full length human recombinant HDAC2 expressed in baculovirus coexpressed in fall armyworm Sf9 cells using carboxyfluorescein (FAM)-labeled...


Bioorg Med Chem 24: 4008-4015 (2016)


Article DOI: 10.1016/j.bmc.2016.06.040
BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 1


(Homo sapiens (human))
BDBM50189903
PNG
(CHEMBL3828396)
Show SMILES Nc1ccc(cc1NC(=O)C1CCOCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H19FN2O2/c19-15-4-1-12(2-5-15)14-3-6-16(20)17(11-14)21-18(22)13-7-9-23-10-8-13/h1-6,11,13H,7-10,20H2,(H,21,22)
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n/an/a 29n/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged and C-terminal FLAG-tagged full length human recombinant HDAC1 expressed in baculovirus coexpressed in fall armyw...


Bioorg Med Chem 24: 4008-4015 (2016)


Article DOI: 10.1016/j.bmc.2016.06.040
BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 1


(Homo sapiens (human))
BDBM50189908
PNG
(CHEMBL3827993)
Show SMILES Nc1ccc(cc1NC(=O)C1Cc2ccccc2CO1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H19FN2O2/c23-18-8-5-14(6-9-18)16-7-10-19(24)20(11-16)25-22(26)21-12-15-3-1-2-4-17(15)13-27-21/h1-11,21H,12-13,24H2,(H,25,26)
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n/an/a 45n/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged and C-terminal FLAG-tagged full length human recombinant HDAC1 expressed in baculovirus coexpressed in fall armyw...


Bioorg Med Chem 24: 4008-4015 (2016)


Article DOI: 10.1016/j.bmc.2016.06.040
BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (human))
BDBM50189903
PNG
(CHEMBL3828396)
Show SMILES Nc1ccc(cc1NC(=O)C1CCOCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H19FN2O2/c19-15-4-1-12(2-5-15)14-3-6-16(20)17(11-14)21-18(22)13-7-9-23-10-8-13/h1-6,11,13H,7-10,20H2,(H,21,22)
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n/an/a 62n/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition full length human recombinant HDAC2 expressed in baculovirus coexpressed in fall armyworm Sf9 cells using carboxyfluorescein (FAM)-labeled...


Bioorg Med Chem 24: 4008-4015 (2016)


Article DOI: 10.1016/j.bmc.2016.06.040
BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 1


(Homo sapiens (human))
BDBM50189909
PNG
(CHEMBL3827363)
Show SMILES Nc1ccc(cc1NC(=O)C1COc2ccccc2C1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H19FN2O2/c23-18-8-5-14(6-9-18)15-7-10-19(24)20(12-15)25-22(26)17-11-16-3-1-2-4-21(16)27-13-17/h1-10,12,17H,11,13,24H2,(H,25,26)
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n/an/a 72n/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged and C-terminal FLAG-tagged full length human recombinant HDAC1 expressed in baculovirus coexpressed in fall armyw...


Bioorg Med Chem 24: 4008-4015 (2016)


Article DOI: 10.1016/j.bmc.2016.06.040
BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM29589
PNG
(Faridak | LBH-589 | LBH-589B | Panobinostat)
Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+
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n/an/a 92n/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged full length human recombinant HDAC5 expressed in baculovirus coexpressed in fall armyworm Sf9 cells using carboxy...


Bioorg Med Chem 24: 4008-4015 (2016)


Article DOI: 10.1016/j.bmc.2016.06.040
BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (human))
BDBM50189908
PNG
(CHEMBL3827993)
Show SMILES Nc1ccc(cc1NC(=O)C1Cc2ccccc2CO1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H19FN2O2/c23-18-8-5-14(6-9-18)16-7-10-19(24)20(11-16)25-22(26)21-12-15-3-1-2-4-17(15)13-27-21/h1-11,21H,12-13,24H2,(H,25,26)
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n/an/a 119n/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition full length human recombinant HDAC2 expressed in baculovirus coexpressed in fall armyworm Sf9 cells using carboxyfluorescein (FAM)-labeled...


Bioorg Med Chem 24: 4008-4015 (2016)


Article DOI: 10.1016/j.bmc.2016.06.040
BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50189910
PNG
(CHEMBL3827262)
Show SMILES Nc1ccc(cc1NC(=O)C1C2COCC12)-c1ccc(F)cc1
Show InChI InChI=1S/C18H17FN2O2/c19-12-4-1-10(2-5-12)11-3-6-15(20)16(7-11)21-18(22)17-13-8-23-9-14(13)17/h1-7,13-14,17H,8-9,20H2,(H,21,22)
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n/an/a 123n/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged and C-terminal FLAG-tagged full length human recombinant HDAC1 expressed in baculovirus coexpressed in fall armyw...


Bioorg Med Chem 24: 4008-4015 (2016)


Article DOI: 10.1016/j.bmc.2016.06.040
BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (human))
BDBM50189909
PNG
(CHEMBL3827363)
Show SMILES Nc1ccc(cc1NC(=O)C1COc2ccccc2C1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H19FN2O2/c23-18-8-5-14(6-9-18)15-7-10-19(24)20(12-15)25-22(26)17-11-16-3-1-2-4-21(16)27-13-17/h1-10,12,17H,11,13,24H2,(H,25,26)
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n/an/a 156n/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition full length human recombinant HDAC2 expressed in baculovirus coexpressed in fall armyworm Sf9 cells using carboxyfluorescein (FAM)-labeled...


Bioorg Med Chem 24: 4008-4015 (2016)


Article DOI: 10.1016/j.bmc.2016.06.040
BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (human))
BDBM50189911
PNG
(CHEMBL3827611)
Show SMILES Nc1ccc(cc1NC(=O)[C@H]1C[C@@H]2CC[C@H](C1)O2)-c1ccc(F)cc1
Show InChI InChI=1S/C20H21FN2O2/c21-15-4-1-12(2-5-15)13-3-8-18(22)19(11-13)23-20(24)14-9-16-6-7-17(10-14)25-16/h1-5,8,11,14,16-17H,6-7,9-10,22H2,(H,23,24)/t14-,16-,17+
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n/an/a 168n/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition full length human recombinant HDAC2 expressed in baculovirus coexpressed in fall armyworm Sf9 cells using carboxyfluorescein (FAM)-labeled...


Bioorg Med Chem 24: 4008-4015 (2016)


Article DOI: 10.1016/j.bmc.2016.06.040
BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 1


(Homo sapiens (human))
BDBM50189911
PNG
(CHEMBL3827611)
Show SMILES Nc1ccc(cc1NC(=O)[C@H]1C[C@@H]2CC[C@H](C1)O2)-c1ccc(F)cc1
Show InChI InChI=1S/C20H21FN2O2/c21-15-4-1-12(2-5-15)13-3-8-18(22)19(11-13)23-20(24)14-9-16-6-7-17(10-14)25-16/h1-5,8,11,14,16-17H,6-7,9-10,22H2,(H,23,24)/t14-,16-,17+
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n/an/a 192n/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged and C-terminal FLAG-tagged full length human recombinant HDAC1 expressed in baculovirus coexpressed in fall armyw...


Bioorg Med Chem 24: 4008-4015 (2016)


Article DOI: 10.1016/j.bmc.2016.06.040
BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 2


(Homo sapiens (human))
BDBM50189910
PNG
(CHEMBL3827262)
Show SMILES Nc1ccc(cc1NC(=O)C1C2COCC12)-c1ccc(F)cc1
Show InChI InChI=1S/C18H17FN2O2/c19-12-4-1-10(2-5-12)11-3-6-15(20)16(7-11)21-18(22)17-13-8-23-9-14(13)17/h1-7,13-14,17H,8-9,20H2,(H,21,22)
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n/an/a 219n/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition full length human recombinant HDAC2 expressed in baculovirus coexpressed in fall armyworm Sf9 cells using carboxyfluorescein (FAM)-labeled...


Bioorg Med Chem 24: 4008-4015 (2016)


Article DOI: 10.1016/j.bmc.2016.06.040
BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM29589
PNG
(Faridak | LBH-589 | LBH-589B | Panobinostat)
Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+
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n/an/a 231n/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged full length human recombinant HDAC8 expressed in baculovirus coexpressed in fall armyworm Sf9 cells using carboxy...


Bioorg Med Chem 24: 4008-4015 (2016)


Article DOI: 10.1016/j.bmc.2016.06.040
BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM29589
PNG
(Faridak | LBH-589 | LBH-589B | Panobinostat)
Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+
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n/an/a 373n/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged and C-terminal His-tagged human recombinant HDAC4 (627 to 1084 residues ) expressed in baculovirus coexpressed in...


Bioorg Med Chem 24: 4008-4015 (2016)


Article DOI: 10.1016/j.bmc.2016.06.040
BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (human))
BDBM19423
PNG
(HDAC inhibitor, Compound 1 | N-[2-amino-5-(thiophe...)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1
Show InChI InChI=1S/C19H17N3O2S/c1-12(23)21-15-7-4-13(5-8-15)19(24)22-17-11-14(6-9-16(17)20)18-3-2-10-25-18/h2-11H,20H2,1H3,(H,21,23)(H,22,24)
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n/an/a 398n/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition full length human recombinant HDAC3 expressed in baculovirus using carboxyfluorescein (FAM)-labeled acetylated/ trifluoroacetylated peptid...


Bioorg Med Chem 24: 4008-4015 (2016)


Article DOI: 10.1016/j.bmc.2016.06.040
BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50189904
PNG
(CHEMBL3827766)
Show SMILES Nc1ccc(cc1NC(=O)[C@H]1CCCCO1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H19FN2O2/c19-14-7-4-12(5-8-14)13-6-9-15(20)16(11-13)21-18(22)17-3-1-2-10-23-17/h4-9,11,17H,1-3,10,20H2,(H,21,22)/t17-/m1/s1
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n/an/a 467n/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged and C-terminal FLAG-tagged full length human recombinant HDAC1 expressed in baculovirus coexpressed in fall armyw...


Bioorg Med Chem 24: 4008-4015 (2016)


Article DOI: 10.1016/j.bmc.2016.06.040
BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (human))
BDBM50189903
PNG
(CHEMBL3828396)
Show SMILES Nc1ccc(cc1NC(=O)C1CCOCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H19FN2O2/c19-15-4-1-12(2-5-15)14-3-6-16(20)17(11-14)21-18(22)13-7-9-23-10-8-13/h1-6,11,13H,7-10,20H2,(H,21,22)
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n/an/a 1.09E+3n/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition full length human recombinant HDAC3 expressed in baculovirus using carboxyfluorescein (FAM)-labeled acetylated/ trifluoroacetylated peptid...


Bioorg Med Chem 24: 4008-4015 (2016)


Article DOI: 10.1016/j.bmc.2016.06.040
BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50189906
PNG
(CHEMBL3827412)
Show SMILES Nc1ccc(cc1NC(=O)C1CCCOC1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H19FN2O2/c19-15-6-3-12(4-7-15)13-5-8-16(20)17(10-13)21-18(22)14-2-1-9-23-11-14/h3-8,10,14H,1-2,9,11,20H2,(H,21,22)
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n/an/a 1.22E+3n/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged and C-terminal FLAG-tagged full length human recombinant HDAC1 expressed in baculovirus coexpressed in fall armyw...


Bioorg Med Chem 24: 4008-4015 (2016)


Article DOI: 10.1016/j.bmc.2016.06.040
BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (human))
BDBM50189904
PNG
(CHEMBL3827766)
Show SMILES Nc1ccc(cc1NC(=O)[C@H]1CCCCO1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H19FN2O2/c19-14-7-4-12(5-8-14)13-6-9-15(20)16(11-13)21-18(22)17-3-1-2-10-23-17/h4-9,11,17H,1-3,10,20H2,(H,21,22)/t17-/m1/s1
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n/an/a 1.29E+3n/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition full length human recombinant HDAC2 expressed in baculovirus coexpressed in fall armyworm Sf9 cells using carboxyfluorescein (FAM)-labeled...


Bioorg Med Chem 24: 4008-4015 (2016)


Article DOI: 10.1016/j.bmc.2016.06.040
BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50189905
PNG
(CHEMBL3828496)
Show SMILES Nc1ccc(cc1NC(=O)[C@@H]1CCCCO1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H19FN2O2/c19-14-7-4-12(5-8-14)13-6-9-15(20)16(11-13)21-18(22)17-3-1-2-10-23-17/h4-9,11,17H,1-3,10,20H2,(H,21,22)/t17-/m0/s1
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n/an/a 1.43E+3n/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged and C-terminal FLAG-tagged full length human recombinant HDAC1 expressed in baculovirus coexpressed in fall armyw...


Bioorg Med Chem 24: 4008-4015 (2016)


Article DOI: 10.1016/j.bmc.2016.06.040
BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50189919
PNG
(CHEMBL3827055)
Show SMILES Nc1ccc(cc1NC(=O)[C@@H]1C[C@@H]2CC[C@H](C1)O2)-c1ccc(F)cc1
Show InChI InChI=1S/C20H21FN2O2/c21-15-4-1-12(2-5-15)13-3-8-18(22)19(11-13)23-20(24)14-9-16-6-7-17(10-14)25-16/h1-5,8,11,14,16-17H,6-7,9-10,22H2,(H,23,24)/t14-,16+,17-
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n/an/a 1.45E+3n/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged and C-terminal FLAG-tagged full length human recombinant HDAC1 expressed in baculovirus coexpressed in fall armyw...


Bioorg Med Chem 24: 4008-4015 (2016)


Article DOI: 10.1016/j.bmc.2016.06.040
BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (human))
BDBM50189905
PNG
(CHEMBL3828496)
Show SMILES Nc1ccc(cc1NC(=O)[C@@H]1CCCCO1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H19FN2O2/c19-14-7-4-12(5-8-14)13-6-9-15(20)16(11-13)21-18(22)17-3-1-2-10-23-17/h4-9,11,17H,1-3,10,20H2,(H,21,22)/t17-/m0/s1
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n/an/a 1.45E+3n/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition full length human recombinant HDAC2 expressed in baculovirus coexpressed in fall armyworm Sf9 cells using carboxyfluorescein (FAM)-labeled...


Bioorg Med Chem 24: 4008-4015 (2016)


Article DOI: 10.1016/j.bmc.2016.06.040
BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (human))
BDBM50189910
PNG
(CHEMBL3827262)
Show SMILES Nc1ccc(cc1NC(=O)C1C2COCC12)-c1ccc(F)cc1
Show InChI InChI=1S/C18H17FN2O2/c19-12-4-1-10(2-5-12)11-3-6-15(20)16(7-11)21-18(22)17-13-8-23-9-14(13)17/h1-7,13-14,17H,8-9,20H2,(H,21,22)
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n/an/a 1.49E+3n/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition full length human recombinant HDAC3 expressed in baculovirus using carboxyfluorescein (FAM)-labeled acetylated/ trifluoroacetylated peptid...


Bioorg Med Chem 24: 4008-4015 (2016)


Article DOI: 10.1016/j.bmc.2016.06.040
BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (human))
BDBM50189919
PNG
(CHEMBL3827055)
Show SMILES Nc1ccc(cc1NC(=O)[C@@H]1C[C@@H]2CC[C@H](C1)O2)-c1ccc(F)cc1
Show InChI InChI=1S/C20H21FN2O2/c21-15-4-1-12(2-5-15)13-3-8-18(22)19(11-13)23-20(24)14-9-16-6-7-17(10-14)25-16/h1-5,8,11,14,16-17H,6-7,9-10,22H2,(H,23,24)/t14-,16+,17-
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n/an/a 1.59E+3n/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition full length human recombinant HDAC2 expressed in baculovirus coexpressed in fall armyworm Sf9 cells using carboxyfluorescein (FAM)-labeled...


Bioorg Med Chem 24: 4008-4015 (2016)


Article DOI: 10.1016/j.bmc.2016.06.040
BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (human))
BDBM50189911
PNG
(CHEMBL3827611)
Show SMILES Nc1ccc(cc1NC(=O)[C@H]1C[C@@H]2CC[C@H](C1)O2)-c1ccc(F)cc1
Show InChI InChI=1S/C20H21FN2O2/c21-15-4-1-12(2-5-15)13-3-8-18(22)19(11-13)23-20(24)14-9-16-6-7-17(10-14)25-16/h1-5,8,11,14,16-17H,6-7,9-10,22H2,(H,23,24)/t14-,16-,17+
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n/an/a 2.28E+3n/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition full length human recombinant HDAC3 expressed in baculovirus using carboxyfluorescein (FAM)-labeled acetylated/ trifluoroacetylated peptid...


Bioorg Med Chem 24: 4008-4015 (2016)


Article DOI: 10.1016/j.bmc.2016.06.040
BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM29589
PNG
(Faridak | LBH-589 | LBH-589B | Panobinostat)
Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+
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n/an/a 2.68E+3n/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human recombinant HDAC9 (604 to 1066 residues) expressed in baculovirus coexpressed in fall armyworm Sf9 cells us...


Bioorg Med Chem 24: 4008-4015 (2016)


Article DOI: 10.1016/j.bmc.2016.06.040
BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (human))
BDBM29589
PNG
(Faridak | LBH-589 | LBH-589B | Panobinostat)
Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+
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n/an/a 2.83E+3n/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human recombinant HDAC7 (518 to end residues) expressed in baculovirus coexpressed in fall armyworm Sf9 cells usi...


Bioorg Med Chem 24: 4008-4015 (2016)


Article DOI: 10.1016/j.bmc.2016.06.040
BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (human))
BDBM50189906
PNG
(CHEMBL3827412)
Show SMILES Nc1ccc(cc1NC(=O)C1CCCOC1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H19FN2O2/c19-15-6-3-12(4-7-15)13-5-8-16(20)17(10-13)21-18(22)14-2-1-9-23-11-14/h3-8,10,14H,1-2,9,11,20H2,(H,21,22)
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n/an/a 4.73E+3n/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition full length human recombinant HDAC2 expressed in baculovirus coexpressed in fall armyworm Sf9 cells using carboxyfluorescein (FAM)-labeled...


Bioorg Med Chem 24: 4008-4015 (2016)


Article DOI: 10.1016/j.bmc.2016.06.040
BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50189907
PNG
(CHEMBL3828015)
Show SMILES Nc1ccc(cc1NC(=O)C1CCc2ccccc2O1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H19FN2O2/c23-17-9-5-14(6-10-17)16-7-11-18(24)19(13-16)25-22(26)21-12-8-15-3-1-2-4-20(15)27-21/h1-7,9-11,13,21H,8,12,24H2,(H,25,26)
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n/an/a 5.59E+3n/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged and C-terminal FLAG-tagged full length human recombinant HDAC1 expressed in baculovirus coexpressed in fall armyw...


Bioorg Med Chem 24: 4008-4015 (2016)


Article DOI: 10.1016/j.bmc.2016.06.040
BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (human))
BDBM50189904
PNG
(CHEMBL3827766)
Show SMILES Nc1ccc(cc1NC(=O)[C@H]1CCCCO1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H19FN2O2/c19-14-7-4-12(5-8-14)13-6-9-15(20)16(11-13)21-18(22)17-3-1-2-10-23-17/h4-9,11,17H,1-3,10,20H2,(H,21,22)/t17-/m1/s1
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n/an/a 5.73E+3n/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition full length human recombinant HDAC3 expressed in baculovirus using carboxyfluorescein (FAM)-labeled acetylated/ trifluoroacetylated peptid...


Bioorg Med Chem 24: 4008-4015 (2016)


Article DOI: 10.1016/j.bmc.2016.06.040
BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (human))
BDBM50189905
PNG
(CHEMBL3828496)
Show SMILES Nc1ccc(cc1NC(=O)[C@@H]1CCCCO1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H19FN2O2/c19-14-7-4-12(5-8-14)13-6-9-15(20)16(11-13)21-18(22)17-3-1-2-10-23-17/h4-9,11,17H,1-3,10,20H2,(H,21,22)/t17-/m0/s1
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n/an/a 5.95E+3n/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition full length human recombinant HDAC3 expressed in baculovirus using carboxyfluorescein (FAM)-labeled acetylated/ trifluoroacetylated peptid...


Bioorg Med Chem 24: 4008-4015 (2016)


Article DOI: 10.1016/j.bmc.2016.06.040
BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (human))
BDBM50189907
PNG
(CHEMBL3828015)
Show SMILES Nc1ccc(cc1NC(=O)C1CCc2ccccc2O1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H19FN2O2/c23-17-9-5-14(6-10-17)16-7-11-18(24)19(13-16)25-22(26)21-12-8-15-3-1-2-4-20(15)27-21/h1-7,9-11,13,21H,8,12,24H2,(H,25,26)
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n/an/a 6.26E+3n/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition full length human recombinant HDAC3 expressed in baculovirus using carboxyfluorescein (FAM)-labeled acetylated/ trifluoroacetylated peptid...


Bioorg Med Chem 24: 4008-4015 (2016)


Article DOI: 10.1016/j.bmc.2016.06.040
BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (human))
BDBM50189907
PNG
(CHEMBL3828015)
Show SMILES Nc1ccc(cc1NC(=O)C1CCc2ccccc2O1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H19FN2O2/c23-17-9-5-14(6-10-17)16-7-11-18(24)19(13-16)25-22(26)21-12-8-15-3-1-2-4-20(15)27-21/h1-7,9-11,13,21H,8,12,24H2,(H,25,26)
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n/an/a 6.56E+3n/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition full length human recombinant HDAC2 expressed in baculovirus coexpressed in fall armyworm Sf9 cells using carboxyfluorescein (FAM)-labeled...


Bioorg Med Chem 24: 4008-4015 (2016)


Article DOI: 10.1016/j.bmc.2016.06.040
BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (human))
BDBM50189919
PNG
(CHEMBL3827055)
Show SMILES Nc1ccc(cc1NC(=O)[C@@H]1C[C@@H]2CC[C@H](C1)O2)-c1ccc(F)cc1
Show InChI InChI=1S/C20H21FN2O2/c21-15-4-1-12(2-5-15)13-3-8-18(22)19(11-13)23-20(24)14-9-16-6-7-17(10-14)25-16/h1-5,8,11,14,16-17H,6-7,9-10,22H2,(H,23,24)/t14-,16+,17-
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n/an/a 1.37E+4n/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition full length human recombinant HDAC3 expressed in baculovirus using carboxyfluorescein (FAM)-labeled acetylated/ trifluoroacetylated peptid...


Bioorg Med Chem 24: 4008-4015 (2016)


Article DOI: 10.1016/j.bmc.2016.06.040
BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (human))
BDBM50189906
PNG
(CHEMBL3827412)
Show SMILES Nc1ccc(cc1NC(=O)C1CCCOC1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H19FN2O2/c19-15-6-3-12(4-7-15)13-5-8-16(20)17(10-13)21-18(22)14-2-1-9-23-11-14/h3-8,10,14H,1-2,9,11,20H2,(H,21,22)
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n/an/a 1.98E+4n/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition full length human recombinant HDAC3 expressed in baculovirus using carboxyfluorescein (FAM)-labeled acetylated/ trifluoroacetylated peptid...


Bioorg Med Chem 24: 4008-4015 (2016)


Article DOI: 10.1016/j.bmc.2016.06.040
BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (human))
BDBM50189908
PNG
(CHEMBL3827993)
Show SMILES Nc1ccc(cc1NC(=O)C1Cc2ccccc2CO1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H19FN2O2/c23-18-8-5-14(6-9-18)16-7-10-19(24)20(11-16)25-22(26)21-12-15-3-1-2-4-17(15)13-27-21/h1-11,21H,12-13,24H2,(H,25,26)
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n/an/a 2.59E+4n/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition full length human recombinant HDAC3 expressed in baculovirus using carboxyfluorescein (FAM)-labeled acetylated/ trifluoroacetylated peptid...


Bioorg Med Chem 24: 4008-4015 (2016)


Article DOI: 10.1016/j.bmc.2016.06.040
BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (human))
BDBM50189911
PNG
(CHEMBL3827611)
Show SMILES Nc1ccc(cc1NC(=O)[C@H]1C[C@@H]2CC[C@H](C1)O2)-c1ccc(F)cc1
Show InChI InChI=1S/C20H21FN2O2/c21-15-4-1-12(2-5-15)13-3-8-18(22)19(11-13)23-20(24)14-9-16-6-7-17(10-14)25-16/h1-5,8,11,14,16-17H,6-7,9-10,22H2,(H,23,24)/t14-,16-,17+
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n/an/a>3.33E+4n/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human recombinant HDAC7 (518 to end residues) expressed in baculovirus coexpressed in fall armyworm Sf9 cells usi...


Bioorg Med Chem 24: 4008-4015 (2016)


Article DOI: 10.1016/j.bmc.2016.06.040
BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (human))
BDBM50189911
PNG
(CHEMBL3827611)
Show SMILES Nc1ccc(cc1NC(=O)[C@H]1C[C@@H]2CC[C@H](C1)O2)-c1ccc(F)cc1
Show InChI InChI=1S/C20H21FN2O2/c21-15-4-1-12(2-5-15)13-3-8-18(22)19(11-13)23-20(24)14-9-16-6-7-17(10-14)25-16/h1-5,8,11,14,16-17H,6-7,9-10,22H2,(H,23,24)/t14-,16-,17+
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n/an/a>3.33E+4n/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 expressed in baculovirus coexpressed in fall armyworm Sf9 cells using carboxyfluorescein (FAM)-labeled acetylat...


Bioorg Med Chem 24: 4008-4015 (2016)


Article DOI: 10.1016/j.bmc.2016.06.040
BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50189911
PNG
(CHEMBL3827611)
Show SMILES Nc1ccc(cc1NC(=O)[C@H]1C[C@@H]2CC[C@H](C1)O2)-c1ccc(F)cc1
Show InChI InChI=1S/C20H21FN2O2/c21-15-4-1-12(2-5-15)13-3-8-18(22)19(11-13)23-20(24)14-9-16-6-7-17(10-14)25-16/h1-5,8,11,14,16-17H,6-7,9-10,22H2,(H,23,24)/t14-,16-,17+
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n/an/a>3.33E+4n/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged full length human recombinant HDAC5 expressed in baculovirus coexpressed in fall armyworm Sf9 cells using carboxy...


Bioorg Med Chem 24: 4008-4015 (2016)


Article DOI: 10.1016/j.bmc.2016.06.040
BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM50189911
PNG
(CHEMBL3827611)
Show SMILES Nc1ccc(cc1NC(=O)[C@H]1C[C@@H]2CC[C@H](C1)O2)-c1ccc(F)cc1
Show InChI InChI=1S/C20H21FN2O2/c21-15-4-1-12(2-5-15)13-3-8-18(22)19(11-13)23-20(24)14-9-16-6-7-17(10-14)25-16/h1-5,8,11,14,16-17H,6-7,9-10,22H2,(H,23,24)/t14-,16-,17+
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n/an/a>3.33E+4n/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged full length human recombinant HDAC8 expressed in baculovirus coexpressed in fall armyworm Sf9 cells using carboxy...


Bioorg Med Chem 24: 4008-4015 (2016)


Article DOI: 10.1016/j.bmc.2016.06.040
BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50189911
PNG
(CHEMBL3827611)
Show SMILES Nc1ccc(cc1NC(=O)[C@H]1C[C@@H]2CC[C@H](C1)O2)-c1ccc(F)cc1
Show InChI InChI=1S/C20H21FN2O2/c21-15-4-1-12(2-5-15)13-3-8-18(22)19(11-13)23-20(24)14-9-16-6-7-17(10-14)25-16/h1-5,8,11,14,16-17H,6-7,9-10,22H2,(H,23,24)/t14-,16-,17+
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n/an/a>3.33E+4n/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human recombinant HDAC9 (604 to 1066 residues) expressed in baculovirus coexpressed in fall armyworm Sf9 cells us...


Bioorg Med Chem 24: 4008-4015 (2016)


Article DOI: 10.1016/j.bmc.2016.06.040
BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50189911
PNG
(CHEMBL3827611)
Show SMILES Nc1ccc(cc1NC(=O)[C@H]1C[C@@H]2CC[C@H](C1)O2)-c1ccc(F)cc1
Show InChI InChI=1S/C20H21FN2O2/c21-15-4-1-12(2-5-15)13-3-8-18(22)19(11-13)23-20(24)14-9-16-6-7-17(10-14)25-16/h1-5,8,11,14,16-17H,6-7,9-10,22H2,(H,23,24)/t14-,16-,17+
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n/an/a>3.33E+4n/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged and C-terminal His-tagged human recombinant HDAC4 (627 to 1084 residues ) expressed in baculovirus coexpressed in...


Bioorg Med Chem 24: 4008-4015 (2016)


Article DOI: 10.1016/j.bmc.2016.06.040
BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (human))
BDBM50189909
PNG
(CHEMBL3827363)
Show SMILES Nc1ccc(cc1NC(=O)C1COc2ccccc2C1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H19FN2O2/c23-18-8-5-14(6-9-18)15-7-10-19(24)20(12-15)25-22(26)17-11-16-3-1-2-4-21(16)27-13-17/h1-10,12,17H,11,13,24H2,(H,25,26)
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n/an/a>3.33E+4n/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition full length human recombinant HDAC3 expressed in baculovirus using carboxyfluorescein (FAM)-labeled acetylated/ trifluoroacetylated peptid...


Bioorg Med Chem 24: 4008-4015 (2016)


Article DOI: 10.1016/j.bmc.2016.06.040
BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%