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PubMed code 21417297

Compile Data Set for Download or QSAR

Found 220 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 9


(Homo sapiens (Human))		BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 20n/an/an/an/an/an/a



Universita` degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human HDAC9 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay

J Med Chem 54: 2165-82 (2011)


Article DOI: 10.1021/jm101373a
BindingDB Entry DOI: 10.7270/Q2CR5TNZ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 61n/an/an/an/an/an/a



Universita` degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay

J Med Chem 54: 2165-82 (2011)


Article DOI: 10.1021/jm101373a
BindingDB Entry DOI: 10.7270/Q2CR5TNZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))		BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 100n/an/an/an/an/an/a



Universita` degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay

J Med Chem 54: 2165-82 (2011)


Article DOI: 10.1021/jm101373a
BindingDB Entry DOI: 10.7270/Q2CR5TNZ
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))		BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 100n/an/an/an/an/an/a



Universita` degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human HDAC11 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay

J Med Chem 54: 2165-82 (2011)


Article DOI: 10.1021/jm101373a
BindingDB Entry DOI: 10.7270/Q2CR5TNZ
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))		BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 150n/an/an/an/an/an/a



Universita` degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human HDAC5 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay

J Med Chem 54: 2165-82 (2011)


Article DOI: 10.1021/jm101373a
BindingDB Entry DOI: 10.7270/Q2CR5TNZ
More data for this
Ligand-Target Pair
Polyamine deacetylase HDAC10


(Homo sapiens (Human))		BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 150n/an/an/an/an/an/a



Universita` degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human HDAC10 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay

J Med Chem 54: 2165-82 (2011)


Article DOI: 10.1021/jm101373a
BindingDB Entry DOI: 10.7270/Q2CR5TNZ
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 180n/an/an/an/an/an/a



Universita` degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay

J Med Chem 54: 2165-82 (2011)


Article DOI: 10.1021/jm101373a
BindingDB Entry DOI: 10.7270/Q2CR5TNZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histone deacetylase 4


(Homo sapiens (Human))		BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 210n/an/an/an/an/an/a



Universita` degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human HDAC4 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay

J Med Chem 54: 2165-82 (2011)


Article DOI: 10.1021/jm101373a
BindingDB Entry DOI: 10.7270/Q2CR5TNZ
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 240n/an/an/an/an/an/a



Universita` degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human HDAC2 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay

J Med Chem 54: 2165-82 (2011)


Article DOI: 10.1021/jm101373a
BindingDB Entry DOI: 10.7270/Q2CR5TNZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histone deacetylase 3


(Homo sapiens (Human))		BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 250n/an/an/an/an/an/a



Universita` degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human HDAC3 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay

J Med Chem 54: 2165-82 (2011)


Article DOI: 10.1021/jm101373a
BindingDB Entry DOI: 10.7270/Q2CR5TNZ
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM50341839
PNG
(5-(3-Aminophenyl)-N-(7-(hydroxyimino)-8-(methylami...)
Show SMILES CNC(=O)C(CCCCCCNC(=O)c1cc(on1)-c1cccc(N)c1)N=O
Show InChI InChI=1S/C19H25N5O4/c1-21-18(25)15(23-27)9-4-2-3-5-10-22-19(26)16-12-17(28-24-16)13-7-6-8-14(20)11-13/h6-8,11-12,15H,2-5,9-10,20H2,1H3,(H,21,25)(H,22,26)
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n/an/a 1.88E+3n/an/an/an/an/an/a



Universita` degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human HDAC3 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay

J Med Chem 54: 2165-82 (2011)


Article DOI: 10.1021/jm101373a
BindingDB Entry DOI: 10.7270/Q2CR5TNZ
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM50341854
PNG
(CHEMBL1767039 | N9-(3-(6-Chloropyridin-3-yl)phenyl...)
Show SMILES CNC(=O)C(CCCCCCC(=O)Nc1cccc(c1)-c1ccc(Cl)nc1)N=O
Show InChI InChI=1S/C21H25ClN4O3/c1-23-21(28)18(26-29)9-4-2-3-5-10-20(27)25-17-8-6-7-15(13-17)16-11-12-19(22)24-14-16/h6-8,11-14,18H,2-5,9-10H2,1H3,(H,23,28)(H,25,27)
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n/an/a 1.99E+3n/an/an/an/an/an/a



Universita` degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human HDAC3 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay

J Med Chem 54: 2165-82 (2011)


Article DOI: 10.1021/jm101373a
BindingDB Entry DOI: 10.7270/Q2CR5TNZ
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))		BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 2.48E+3n/an/an/an/an/an/a



Universita` degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human HDAC7 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay

J Med Chem 54: 2165-82 (2011)


Article DOI: 10.1021/jm101373a
BindingDB Entry DOI: 10.7270/Q2CR5TNZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histone deacetylase 9


(Homo sapiens (Human))		BDBM50341839
PNG
(5-(3-Aminophenyl)-N-(7-(hydroxyimino)-8-(methylami...)
Show SMILES CNC(=O)C(CCCCCCNC(=O)c1cc(on1)-c1cccc(N)c1)N=O
Show InChI InChI=1S/C19H25N5O4/c1-21-18(25)15(23-27)9-4-2-3-5-10-22-19(26)16-12-17(28-24-16)13-7-6-8-14(20)11-13/h6-8,11-12,15H,2-5,9-10,20H2,1H3,(H,21,25)(H,22,26)
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n/an/a 2.55E+3n/an/an/an/an/an/a



Universita` degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human HDAC9 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay

J Med Chem 54: 2165-82 (2011)


Article DOI: 10.1021/jm101373a
BindingDB Entry DOI: 10.7270/Q2CR5TNZ
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM50341840
PNG
(5-(4-Aminophenyl)-N-(7-(hydroxyimino)-8-(methylami...)
Show SMILES CNC(=O)C(CCCCCCNC(=O)c1cc(on1)-c1ccc(N)cc1)N=O
Show InChI InChI=1S/C19H25N5O4/c1-21-18(25)15(23-27)6-4-2-3-5-11-22-19(26)16-12-17(28-24-16)13-7-9-14(20)10-8-13/h7-10,12,15H,2-6,11,20H2,1H3,(H,21,25)(H,22,26)
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n/an/a 4.44E+3n/an/an/an/an/an/a



Universita` degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human HDAC3 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay

J Med Chem 54: 2165-82 (2011)


Article DOI: 10.1021/jm101373a
BindingDB Entry DOI: 10.7270/Q2CR5TNZ
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))		BDBM50341839
PNG
(5-(3-Aminophenyl)-N-(7-(hydroxyimino)-8-(methylami...)
Show SMILES CNC(=O)C(CCCCCCNC(=O)c1cc(on1)-c1cccc(N)c1)N=O
Show InChI InChI=1S/C19H25N5O4/c1-21-18(25)15(23-27)9-4-2-3-5-10-22-19(26)16-12-17(28-24-16)13-7-6-8-14(20)11-13/h6-8,11-12,15H,2-5,9-10,20H2,1H3,(H,21,25)(H,22,26)
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n/an/a 5.25E+3n/an/an/an/an/an/a



Universita` degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human HDAC7 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay

J Med Chem 54: 2165-82 (2011)


Article DOI: 10.1021/jm101373a
BindingDB Entry DOI: 10.7270/Q2CR5TNZ
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))		BDBM50341840
PNG
(5-(4-Aminophenyl)-N-(7-(hydroxyimino)-8-(methylami...)
Show SMILES CNC(=O)C(CCCCCCNC(=O)c1cc(on1)-c1ccc(N)cc1)N=O
Show InChI InChI=1S/C19H25N5O4/c1-21-18(25)15(23-27)6-4-2-3-5-11-22-19(26)16-12-17(28-24-16)13-7-9-14(20)10-8-13/h7-10,12,15H,2-6,11,20H2,1H3,(H,21,25)(H,22,26)
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n/an/a 6.50E+3n/an/an/an/an/an/a



Universita` degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human HDAC9 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay

J Med Chem 54: 2165-82 (2011)


Article DOI: 10.1021/jm101373a
BindingDB Entry DOI: 10.7270/Q2CR5TNZ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50341839
PNG
(5-(3-Aminophenyl)-N-(7-(hydroxyimino)-8-(methylami...)
Show SMILES CNC(=O)C(CCCCCCNC(=O)c1cc(on1)-c1cccc(N)c1)N=O
Show InChI InChI=1S/C19H25N5O4/c1-21-18(25)15(23-27)9-4-2-3-5-10-22-19(26)16-12-17(28-24-16)13-7-6-8-14(20)11-13/h6-8,11-12,15H,2-5,9-10,20H2,1H3,(H,21,25)(H,22,26)
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n/an/a 8.12E+3n/an/an/an/an/an/a



Universita` degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay

J Med Chem 54: 2165-82 (2011)


Article DOI: 10.1021/jm101373a
BindingDB Entry DOI: 10.7270/Q2CR5TNZ
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM50341851
PNG
(CHEMBL1767036 | N9-([1,1'-Biphenyl]-3-yl)-2-(hydro...)
Show SMILES CNC(=O)C(CCCCCCC(=O)Nc1cccc(c1)-c1ccccc1)N=O
Show InChI InChI=1S/C22H27N3O3/c1-23-22(27)20(25-28)14-7-2-3-8-15-21(26)24-19-13-9-12-18(16-19)17-10-5-4-6-11-17/h4-6,9-13,16,20H,2-3,7-8,14-15H2,1H3,(H,23,27)(H,24,26)
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n/an/a 9.60E+3n/an/an/an/an/an/a



Universita` degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human HDAC3 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay

J Med Chem 54: 2165-82 (2011)


Article DOI: 10.1021/jm101373a
BindingDB Entry DOI: 10.7270/Q2CR5TNZ
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM50341842
PNG
((S)-2-(Hydroxyimino)-8-((4-methoxybenzyl)amino)-N1...)
Show SMILES CNC(=O)C(CCCCC[C@H](NCc1ccc(OC)cc1)C(=O)Nc1ccccc1)N=O |r|
Show InChI InChI=1S/C24H32N4O4/c1-25-23(29)22(28-31)12-8-4-7-11-21(24(30)27-19-9-5-3-6-10-19)26-17-18-13-15-20(32-2)16-14-18/h3,5-6,9-10,13-16,21-22,26H,4,7-8,11-12,17H2,1-2H3,(H,25,29)(H,27,30)/t21-,22?/m0/s1
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n/an/a 1.06E+4n/an/an/an/an/an/a



Universita` degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human HDAC3 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay

J Med Chem 54: 2165-82 (2011)


Article DOI: 10.1021/jm101373a
BindingDB Entry DOI: 10.7270/Q2CR5TNZ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50341840
PNG
(5-(4-Aminophenyl)-N-(7-(hydroxyimino)-8-(methylami...)
Show SMILES CNC(=O)C(CCCCCCNC(=O)c1cc(on1)-c1ccc(N)cc1)N=O
Show InChI InChI=1S/C19H25N5O4/c1-21-18(25)15(23-27)6-4-2-3-5-11-22-19(26)16-12-17(28-24-16)13-7-9-14(20)10-8-13/h7-10,12,15H,2-6,11,20H2,1H3,(H,21,25)(H,22,26)
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n/an/a 1.16E+4n/an/an/an/an/an/a



Universita` degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay

J Med Chem 54: 2165-82 (2011)


Article DOI: 10.1021/jm101373a
BindingDB Entry DOI: 10.7270/Q2CR5TNZ
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))		BDBM50341839
PNG
(5-(3-Aminophenyl)-N-(7-(hydroxyimino)-8-(methylami...)
Show SMILES CNC(=O)C(CCCCCCNC(=O)c1cc(on1)-c1cccc(N)c1)N=O
Show InChI InChI=1S/C19H25N5O4/c1-21-18(25)15(23-27)9-4-2-3-5-10-22-19(26)16-12-17(28-24-16)13-7-6-8-14(20)11-13/h6-8,11-12,15H,2-5,9-10,20H2,1H3,(H,21,25)(H,22,26)
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n/an/a 1.30E+4n/an/an/an/an/an/a



Universita` degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human HDAC5 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay

J Med Chem 54: 2165-82 (2011)


Article DOI: 10.1021/jm101373a
BindingDB Entry DOI: 10.7270/Q2CR5TNZ
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))		BDBM50341854
PNG
(CHEMBL1767039 | N9-(3-(6-Chloropyridin-3-yl)phenyl...)
Show SMILES CNC(=O)C(CCCCCCC(=O)Nc1cccc(c1)-c1ccc(Cl)nc1)N=O
Show InChI InChI=1S/C21H25ClN4O3/c1-23-21(28)18(26-29)9-4-2-3-5-10-20(27)25-17-8-6-7-15(13-17)16-11-12-19(22)24-14-16/h6-8,11-14,18H,2-5,9-10H2,1H3,(H,23,28)(H,25,27)
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n/an/a 1.33E+4n/an/an/an/an/an/a



Universita` degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human HDAC9 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay

J Med Chem 54: 2165-82 (2011)


Article DOI: 10.1021/jm101373a
BindingDB Entry DOI: 10.7270/Q2CR5TNZ
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))		BDBM50341840
PNG
(5-(4-Aminophenyl)-N-(7-(hydroxyimino)-8-(methylami...)
Show SMILES CNC(=O)C(CCCCCCNC(=O)c1cc(on1)-c1ccc(N)cc1)N=O
Show InChI InChI=1S/C19H25N5O4/c1-21-18(25)15(23-27)6-4-2-3-5-11-22-19(26)16-12-17(28-24-16)13-7-9-14(20)10-8-13/h7-10,12,15H,2-6,11,20H2,1H3,(H,21,25)(H,22,26)
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n/an/a 1.53E+4n/an/an/an/an/an/a



Universita` degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human HDAC5 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay

J Med Chem 54: 2165-82 (2011)


Article DOI: 10.1021/jm101373a
BindingDB Entry DOI: 10.7270/Q2CR5TNZ
More data for this
Ligand-Target Pair
Polyamine deacetylase HDAC10


(Homo sapiens (Human))		BDBM50341839
PNG
(5-(3-Aminophenyl)-N-(7-(hydroxyimino)-8-(methylami...)
Show SMILES CNC(=O)C(CCCCCCNC(=O)c1cc(on1)-c1cccc(N)c1)N=O
Show InChI InChI=1S/C19H25N5O4/c1-21-18(25)15(23-27)9-4-2-3-5-10-22-19(26)16-12-17(28-24-16)13-7-6-8-14(20)11-13/h6-8,11-12,15H,2-5,9-10,20H2,1H3,(H,21,25)(H,22,26)
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n/an/a 1.54E+4n/an/an/an/an/an/a



Universita` degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human HDAC10 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay

J Med Chem 54: 2165-82 (2011)


Article DOI: 10.1021/jm101373a
BindingDB Entry DOI: 10.7270/Q2CR5TNZ
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))		BDBM50341840
PNG
(5-(4-Aminophenyl)-N-(7-(hydroxyimino)-8-(methylami...)
Show SMILES CNC(=O)C(CCCCCCNC(=O)c1cc(on1)-c1ccc(N)cc1)N=O
Show InChI InChI=1S/C19H25N5O4/c1-21-18(25)15(23-27)6-4-2-3-5-11-22-19(26)16-12-17(28-24-16)13-7-9-14(20)10-8-13/h7-10,12,15H,2-6,11,20H2,1H3,(H,21,25)(H,22,26)
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n/an/a 1.65E+4n/an/an/an/an/an/a



Universita` degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human HDAC7 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay

J Med Chem 54: 2165-82 (2011)


Article DOI: 10.1021/jm101373a
BindingDB Entry DOI: 10.7270/Q2CR5TNZ
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))		BDBM50341839
PNG
(5-(3-Aminophenyl)-N-(7-(hydroxyimino)-8-(methylami...)
Show SMILES CNC(=O)C(CCCCCCNC(=O)c1cc(on1)-c1cccc(N)c1)N=O
Show InChI InChI=1S/C19H25N5O4/c1-21-18(25)15(23-27)9-4-2-3-5-10-22-19(26)16-12-17(28-24-16)13-7-6-8-14(20)11-13/h6-8,11-12,15H,2-5,9-10,20H2,1H3,(H,21,25)(H,22,26)
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n/an/a 1.68E+4n/an/an/an/an/an/a



Universita` degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human HDAC11 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay

J Med Chem 54: 2165-82 (2011)


Article DOI: 10.1021/jm101373a
BindingDB Entry DOI: 10.7270/Q2CR5TNZ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50341842
PNG
((S)-2-(Hydroxyimino)-8-((4-methoxybenzyl)amino)-N1...)
Show SMILES CNC(=O)C(CCCCC[C@H](NCc1ccc(OC)cc1)C(=O)Nc1ccccc1)N=O |r|
Show InChI InChI=1S/C24H32N4O4/c1-25-23(29)22(28-31)12-8-4-7-11-21(24(30)27-19-9-5-3-6-10-19)26-17-18-13-15-20(32-2)16-14-18/h3,5-6,9-10,13-16,21-22,26H,4,7-8,11-12,17H2,1-2H3,(H,25,29)(H,27,30)/t21-,22?/m0/s1
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n/an/a 1.75E+4n/an/an/an/an/an/a



Universita` degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay

J Med Chem 54: 2165-82 (2011)


Article DOI: 10.1021/jm101373a
BindingDB Entry DOI: 10.7270/Q2CR5TNZ
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM50341853
PNG
(2-(Hydroxyimino)-N1-methyl-N9-(3-(pyridine-3-yl)ph...)
Show SMILES CNC(=O)C(CCCCCCC(=O)Nc1cccc(c1)-c1cccnc1)N=O
Show InChI InChI=1S/C21H26N4O3/c1-22-21(27)19(25-28)11-4-2-3-5-12-20(26)24-18-10-6-8-16(14-18)17-9-7-13-23-15-17/h6-10,13-15,19H,2-5,11-12H2,1H3,(H,22,27)(H,24,26)
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n/an/a 1.84E+4n/an/an/an/an/an/a



Universita` degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human HDAC3 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay

J Med Chem 54: 2165-82 (2011)


Article DOI: 10.1021/jm101373a
BindingDB Entry DOI: 10.7270/Q2CR5TNZ
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM50341844
PNG
(2-(Hydroxyimino)-N1-methyl-N9-phenylnonanediamide ...)
Show SMILES CNC(=O)C(CCCCCCC(=O)Nc1ccccc1)N=O
Show InChI InChI=1S/C16H23N3O3/c1-17-16(21)14(19-22)11-7-2-3-8-12-15(20)18-13-9-5-4-6-10-13/h4-6,9-10,14H,2-3,7-8,11-12H2,1H3,(H,17,21)(H,18,20)
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n/an/a 1.86E+4n/an/an/an/an/an/a



Universita` degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human HDAC3 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay

J Med Chem 54: 2165-82 (2011)


Article DOI: 10.1021/jm101373a
BindingDB Entry DOI: 10.7270/Q2CR5TNZ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50341854
PNG
(CHEMBL1767039 | N9-(3-(6-Chloropyridin-3-yl)phenyl...)
Show SMILES CNC(=O)C(CCCCCCC(=O)Nc1cccc(c1)-c1ccc(Cl)nc1)N=O
Show InChI InChI=1S/C21H25ClN4O3/c1-23-21(28)18(26-29)9-4-2-3-5-10-20(27)25-17-8-6-7-15(13-17)16-11-12-19(22)24-14-16/h6-8,11-14,18H,2-5,9-10H2,1H3,(H,23,28)(H,25,27)
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n/an/a 1.93E+4n/an/an/an/an/an/a



Universita` degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay

J Med Chem 54: 2165-82 (2011)


Article DOI: 10.1021/jm101373a
BindingDB Entry DOI: 10.7270/Q2CR5TNZ
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))		BDBM50341851
PNG
(CHEMBL1767036 | N9-([1,1'-Biphenyl]-3-yl)-2-(hydro...)
Show SMILES CNC(=O)C(CCCCCCC(=O)Nc1cccc(c1)-c1ccccc1)N=O
Show InChI InChI=1S/C22H27N3O3/c1-23-22(27)20(25-28)14-7-2-3-8-15-21(26)24-19-13-9-12-18(16-19)17-10-5-4-6-11-17/h4-6,9-13,16,20H,2-3,7-8,14-15H2,1H3,(H,23,27)(H,24,26)
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n/an/a 1.94E+4n/an/an/an/an/an/a



Universita` degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human HDAC9 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay

J Med Chem 54: 2165-82 (2011)


Article DOI: 10.1021/jm101373a
BindingDB Entry DOI: 10.7270/Q2CR5TNZ
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))		BDBM50341854
PNG
(CHEMBL1767039 | N9-(3-(6-Chloropyridin-3-yl)phenyl...)
Show SMILES CNC(=O)C(CCCCCCC(=O)Nc1cccc(c1)-c1ccc(Cl)nc1)N=O
Show InChI InChI=1S/C21H25ClN4O3/c1-23-21(28)18(26-29)9-4-2-3-5-10-20(27)25-17-8-6-7-15(13-17)16-11-12-19(22)24-14-16/h6-8,11-14,18H,2-5,9-10H2,1H3,(H,23,28)(H,25,27)
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n/an/a 2.10E+4n/an/an/an/an/an/a



Universita` degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human HDAC5 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay

J Med Chem 54: 2165-82 (2011)


Article DOI: 10.1021/jm101373a
BindingDB Entry DOI: 10.7270/Q2CR5TNZ
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM50341852
PNG
(3'-(8-(Hydroxyimino)-9-(methylamino)-9-oxononanami...)
Show SMILES CNC(=O)C(CCCCCCC(=O)Nc1cccc(c1)-c1ccc(cc1)C(O)=O)N=O
Show InChI InChI=1S/C23H27N3O5/c1-24-22(28)20(26-31)9-4-2-3-5-10-21(27)25-19-8-6-7-18(15-19)16-11-13-17(14-12-16)23(29)30/h6-8,11-15,20H,2-5,9-10H2,1H3,(H,24,28)(H,25,27)(H,29,30)
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n/an/a 2.11E+4n/an/an/an/an/an/a



Universita` degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human HDAC3 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay

J Med Chem 54: 2165-82 (2011)


Article DOI: 10.1021/jm101373a
BindingDB Entry DOI: 10.7270/Q2CR5TNZ
More data for this
Ligand-Target Pair
Polyamine deacetylase HDAC10


(Homo sapiens (Human))		BDBM50341840
PNG
(5-(4-Aminophenyl)-N-(7-(hydroxyimino)-8-(methylami...)
Show SMILES CNC(=O)C(CCCCCCNC(=O)c1cc(on1)-c1ccc(N)cc1)N=O
Show InChI InChI=1S/C19H25N5O4/c1-21-18(25)15(23-27)6-4-2-3-5-11-22-19(26)16-12-17(28-24-16)13-7-9-14(20)10-8-13/h7-10,12,15H,2-6,11,20H2,1H3,(H,21,25)(H,22,26)
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n/an/a 2.18E+4n/an/an/an/an/an/a



Universita` degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human HDAC10 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay

J Med Chem 54: 2165-82 (2011)


Article DOI: 10.1021/jm101373a
BindingDB Entry DOI: 10.7270/Q2CR5TNZ
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50341844
PNG
(2-(Hydroxyimino)-N1-methyl-N9-phenylnonanediamide ...)
Show SMILES CNC(=O)C(CCCCCCC(=O)Nc1ccccc1)N=O
Show InChI InChI=1S/C16H23N3O3/c1-17-16(21)14(19-22)11-7-2-3-8-12-15(20)18-13-9-5-4-6-10-13/h4-6,9-10,14H,2-3,7-8,11-12H2,1H3,(H,17,21)(H,18,20)
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n/an/a 2.26E+4n/an/an/an/an/an/a



Universita` degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay

J Med Chem 54: 2165-82 (2011)


Article DOI: 10.1021/jm101373a
BindingDB Entry DOI: 10.7270/Q2CR5TNZ
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))		BDBM50341851
PNG
(CHEMBL1767036 | N9-([1,1'-Biphenyl]-3-yl)-2-(hydro...)
Show SMILES CNC(=O)C(CCCCCCC(=O)Nc1cccc(c1)-c1ccccc1)N=O
Show InChI InChI=1S/C22H27N3O3/c1-23-22(27)20(25-28)14-7-2-3-8-15-21(26)24-19-13-9-12-18(16-19)17-10-5-4-6-11-17/h4-6,9-13,16,20H,2-3,7-8,14-15H2,1H3,(H,23,27)(H,24,26)
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n/an/a 2.31E+4n/an/an/an/an/an/a



Universita` degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human HDAC7 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay

J Med Chem 54: 2165-82 (2011)


Article DOI: 10.1021/jm101373a
BindingDB Entry DOI: 10.7270/Q2CR5TNZ
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Polyamine deacetylase HDAC10


(Homo sapiens (Human))		BDBM50341854
PNG
(CHEMBL1767039 | N9-(3-(6-Chloropyridin-3-yl)phenyl...)
Show SMILES CNC(=O)C(CCCCCCC(=O)Nc1cccc(c1)-c1ccc(Cl)nc1)N=O
Show InChI InChI=1S/C21H25ClN4O3/c1-23-21(28)18(26-29)9-4-2-3-5-10-20(27)25-17-8-6-7-15(13-17)16-11-12-19(22)24-14-16/h6-8,11-14,18H,2-5,9-10H2,1H3,(H,23,28)(H,25,27)
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n/an/a 2.31E+4n/an/an/an/an/an/a



Universita` degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human HDAC10 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay

J Med Chem 54: 2165-82 (2011)


Article DOI: 10.1021/jm101373a
BindingDB Entry DOI: 10.7270/Q2CR5TNZ
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))		BDBM50341840
PNG
(5-(4-Aminophenyl)-N-(7-(hydroxyimino)-8-(methylami...)
Show SMILES CNC(=O)C(CCCCCCNC(=O)c1cc(on1)-c1ccc(N)cc1)N=O
Show InChI InChI=1S/C19H25N5O4/c1-21-18(25)15(23-27)6-4-2-3-5-11-22-19(26)16-12-17(28-24-16)13-7-9-14(20)10-8-13/h7-10,12,15H,2-6,11,20H2,1H3,(H,21,25)(H,22,26)
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n/an/a 2.81E+4n/an/an/an/an/an/a



Universita` degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human HDAC11 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay

J Med Chem 54: 2165-82 (2011)


Article DOI: 10.1021/jm101373a
BindingDB Entry DOI: 10.7270/Q2CR5TNZ
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50341842
PNG
((S)-2-(Hydroxyimino)-8-((4-methoxybenzyl)amino)-N1...)
Show SMILES CNC(=O)C(CCCCC[C@H](NCc1ccc(OC)cc1)C(=O)Nc1ccccc1)N=O |r|
Show InChI InChI=1S/C24H32N4O4/c1-25-23(29)22(28-31)12-8-4-7-11-21(24(30)27-19-9-5-3-6-10-19)26-17-18-13-15-20(32-2)16-14-18/h3,5-6,9-10,13-16,21-22,26H,4,7-8,11-12,17H2,1-2H3,(H,25,29)(H,27,30)/t21-,22?/m0/s1
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n/an/a 2.87E+4n/an/an/an/an/an/a



Universita` degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay

J Med Chem 54: 2165-82 (2011)


Article DOI: 10.1021/jm101373a
BindingDB Entry DOI: 10.7270/Q2CR5TNZ
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50341852
PNG
(3'-(8-(Hydroxyimino)-9-(methylamino)-9-oxononanami...)
Show SMILES CNC(=O)C(CCCCCCC(=O)Nc1cccc(c1)-c1ccc(cc1)C(O)=O)N=O
Show InChI InChI=1S/C23H27N3O5/c1-24-22(28)20(26-31)9-4-2-3-5-10-21(27)25-19-8-6-7-18(15-19)16-11-13-17(14-12-16)23(29)30/h6-8,11-15,20H,2-5,9-10H2,1H3,(H,24,28)(H,25,27)(H,29,30)
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n/an/a 2.94E+4n/an/an/an/an/an/a



Universita` degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay

J Med Chem 54: 2165-82 (2011)


Article DOI: 10.1021/jm101373a
BindingDB Entry DOI: 10.7270/Q2CR5TNZ
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))		BDBM50341854
PNG
(CHEMBL1767039 | N9-(3-(6-Chloropyridin-3-yl)phenyl...)
Show SMILES CNC(=O)C(CCCCCCC(=O)Nc1cccc(c1)-c1ccc(Cl)nc1)N=O
Show InChI InChI=1S/C21H25ClN4O3/c1-23-21(28)18(26-29)9-4-2-3-5-10-20(27)25-17-8-6-7-15(13-17)16-11-12-19(22)24-14-16/h6-8,11-14,18H,2-5,9-10H2,1H3,(H,23,28)(H,25,27)
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n/an/a 2.97E+4n/an/an/an/an/an/a



Universita` degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human HDAC7 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay

J Med Chem 54: 2165-82 (2011)


Article DOI: 10.1021/jm101373a
BindingDB Entry DOI: 10.7270/Q2CR5TNZ
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))		BDBM50341844
PNG
(2-(Hydroxyimino)-N1-methyl-N9-phenylnonanediamide ...)
Show SMILES CNC(=O)C(CCCCCCC(=O)Nc1ccccc1)N=O
Show InChI InChI=1S/C16H23N3O3/c1-17-16(21)14(19-22)11-7-2-3-8-12-15(20)18-13-9-5-4-6-10-13/h4-6,9-10,14H,2-3,7-8,11-12H2,1H3,(H,17,21)(H,18,20)
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n/an/a 3.07E+4n/an/an/an/an/an/a



Universita` degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human HDAC9 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay

J Med Chem 54: 2165-82 (2011)


Article DOI: 10.1021/jm101373a
BindingDB Entry DOI: 10.7270/Q2CR5TNZ
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))		BDBM50341853
PNG
(2-(Hydroxyimino)-N1-methyl-N9-(3-(pyridine-3-yl)ph...)
Show SMILES CNC(=O)C(CCCCCCC(=O)Nc1cccc(c1)-c1cccnc1)N=O
Show InChI InChI=1S/C21H26N4O3/c1-22-21(27)19(25-28)11-4-2-3-5-12-20(26)24-18-10-6-8-16(14-18)17-9-7-13-23-15-17/h6-10,13-15,19H,2-5,11-12H2,1H3,(H,22,27)(H,24,26)
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n/an/a 3.21E+4n/an/an/an/an/an/a



Universita` degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human HDAC9 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay

J Med Chem 54: 2165-82 (2011)


Article DOI: 10.1021/jm101373a
BindingDB Entry DOI: 10.7270/Q2CR5TNZ
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM50341839
PNG
(5-(3-Aminophenyl)-N-(7-(hydroxyimino)-8-(methylami...)
Show SMILES CNC(=O)C(CCCCCCNC(=O)c1cc(on1)-c1cccc(N)c1)N=O
Show InChI InChI=1S/C19H25N5O4/c1-21-18(25)15(23-27)9-4-2-3-5-10-22-19(26)16-12-17(28-24-16)13-7-6-8-14(20)11-13/h6-8,11-12,15H,2-5,9-10,20H2,1H3,(H,21,25)(H,22,26)
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n/an/a 3.30E+4n/an/an/an/an/an/a



Universita` degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human HDAC2 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay

J Med Chem 54: 2165-82 (2011)


Article DOI: 10.1021/jm101373a
BindingDB Entry DOI: 10.7270/Q2CR5TNZ
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))		BDBM50341854
PNG
(CHEMBL1767039 | N9-(3-(6-Chloropyridin-3-yl)phenyl...)
Show SMILES CNC(=O)C(CCCCCCC(=O)Nc1cccc(c1)-c1ccc(Cl)nc1)N=O
Show InChI InChI=1S/C21H25ClN4O3/c1-23-21(28)18(26-29)9-4-2-3-5-10-20(27)25-17-8-6-7-15(13-17)16-11-12-19(22)24-14-16/h6-8,11-14,18H,2-5,9-10H2,1H3,(H,23,28)(H,25,27)
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n/an/a 3.41E+4n/an/an/an/an/an/a



Universita` degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human HDAC11 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay

J Med Chem 54: 2165-82 (2011)


Article DOI: 10.1021/jm101373a
BindingDB Entry DOI: 10.7270/Q2CR5TNZ
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50341843
PNG
((S)-2-(Dibenzylamino)-8-(hydroxyimino)-N9-methyl-N...)
Show SMILES CNC(=O)C(CCCCC[C@H](N(Cc1ccccc1)Cc1ccccc1)C(=O)Nc1ccccc1)N=O |r|
Show InChI InChI=1S/C30H36N4O3/c1-31-29(35)27(33-37)20-12-5-13-21-28(30(36)32-26-18-10-4-11-19-26)34(22-24-14-6-2-7-15-24)23-25-16-8-3-9-17-25/h2-4,6-11,14-19,27-28H,5,12-13,20-23H2,1H3,(H,31,35)(H,32,36)/t27?,28-/m0/s1
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n/an/a 3.58E+4n/an/an/an/an/an/a



Universita` degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay

J Med Chem 54: 2165-82 (2011)


Article DOI: 10.1021/jm101373a
BindingDB Entry DOI: 10.7270/Q2CR5TNZ
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))		BDBM50341844
PNG
(2-(Hydroxyimino)-N1-methyl-N9-phenylnonanediamide ...)
Show SMILES CNC(=O)C(CCCCCCC(=O)Nc1ccccc1)N=O
Show InChI InChI=1S/C16H23N3O3/c1-17-16(21)14(19-22)11-7-2-3-8-12-15(20)18-13-9-5-4-6-10-13/h4-6,9-10,14H,2-3,7-8,11-12H2,1H3,(H,17,21)(H,18,20)
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n/an/a 3.62E+4n/an/an/an/an/an/a



Universita` degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human HDAC7 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay

J Med Chem 54: 2165-82 (2011)


Article DOI: 10.1021/jm101373a
BindingDB Entry DOI: 10.7270/Q2CR5TNZ
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Polyamine deacetylase HDAC10


(Homo sapiens (Human))		BDBM50341842
PNG
((S)-2-(Hydroxyimino)-8-((4-methoxybenzyl)amino)-N1...)
Show SMILES CNC(=O)C(CCCCC[C@H](NCc1ccc(OC)cc1)C(=O)Nc1ccccc1)N=O |r|
Show InChI InChI=1S/C24H32N4O4/c1-25-23(29)22(28-31)12-8-4-7-11-21(24(30)27-19-9-5-3-6-10-19)26-17-18-13-15-20(32-2)16-14-18/h3,5-6,9-10,13-16,21-22,26H,4,7-8,11-12,17H2,1-2H3,(H,25,29)(H,27,30)/t21-,22?/m0/s1
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n/an/a 3.78E+4n/an/an/an/an/an/a



Universita` degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human HDAC10 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay

J Med Chem 54: 2165-82 (2011)


Article DOI: 10.1021/jm101373a
BindingDB Entry DOI: 10.7270/Q2CR5TNZ
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))		BDBM50341839
PNG
(5-(3-Aminophenyl)-N-(7-(hydroxyimino)-8-(methylami...)
Show SMILES CNC(=O)C(CCCCCCNC(=O)c1cc(on1)-c1cccc(N)c1)N=O
Show InChI InChI=1S/C19H25N5O4/c1-21-18(25)15(23-27)9-4-2-3-5-10-22-19(26)16-12-17(28-24-16)13-7-6-8-14(20)11-13/h6-8,11-12,15H,2-5,9-10,20H2,1H3,(H,21,25)(H,22,26)
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n/an/a 3.89E+4n/an/an/an/an/an/a



Universita` degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human HDAC4 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay

J Med Chem 54: 2165-82 (2011)


Article DOI: 10.1021/jm101373a
BindingDB Entry DOI: 10.7270/Q2CR5TNZ
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%