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PubMed code 20171895

Compile data set for download or QSAR
Found 36 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 8


(Homo sapiens (Human))		BDBM50308316
PNG
((S)-Benzyl 7-(2-(hydroxyamino)-2-oxoethoxy)-3-(phe...)
Show SMILES ONC(=O)COc1ccc2C[C@H](N(Cc2c1)C(=O)OCc1ccccc1)C(=O)NCCc1ccccc1 |r|
Show InChI InChI=1S/C28H29N3O6/c32-26(30-35)19-36-24-12-11-22-16-25(27(33)29-14-13-20-7-3-1-4-8-20)31(17-23(22)15-24)28(34)37-18-21-9-5-2-6-10-21/h1-12,15,25,35H,13-14,16-19H2,(H,29,33)(H,30,32)/t25-/m0/s1
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n/an/a 580n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay

Bioorg Med Chem 18: 1761-72 (2010)


Article DOI: 10.1016/j.bmc.2010.01.060
BindingDB Entry DOI: 10.7270/Q2JD4WX3
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50308290
PNG
((S)-tert-Butyl 7-(2-(hydroxyamino)-2-oxoethoxy)-3-...)
Show SMILES COc1ccc(NC(=O)[C@@H]2Cc3ccc(OCC(=O)NO)cc3CN2C(=O)OC(C)(C)C)cc1 |r|
Show InChI InChI=1S/C24H29N3O7/c1-24(2,3)34-23(30)27-13-16-11-19(33-14-21(28)26-31)8-5-15(16)12-20(27)22(29)25-17-6-9-18(32-4)10-7-17/h5-11,20,31H,12-14H2,1-4H3,(H,25,29)(H,26,28)/t20-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay

Bioorg Med Chem 18: 1761-72 (2010)


Article DOI: 10.1016/j.bmc.2010.01.060
BindingDB Entry DOI: 10.7270/Q2JD4WX3
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50308307
PNG
((S)-7-(2-(Hydroxyamino)-2-oxoethoxy)-N-(naphthalen...)
Show SMILES ONC(=O)COc1ccc2C[C@H](NCc2c1)C(=O)Nc1cccc2ccccc12 |r|
Show InChI InChI=1S/C22H21N3O4/c26-21(25-28)13-29-17-9-8-15-11-20(23-12-16(15)10-17)22(27)24-19-7-3-5-14-4-1-2-6-18(14)19/h1-10,20,23,28H,11-13H2,(H,24,27)(H,25,26)/t20-/m0/s1
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n/an/a 1.06E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay

Bioorg Med Chem 18: 1761-72 (2010)


Article DOI: 10.1016/j.bmc.2010.01.060
BindingDB Entry DOI: 10.7270/Q2JD4WX3
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50308300
PNG
((S)-tert-Butyl 3-(3-chlorophenylcarbamoyl)-7-(2-(h...)
Show SMILES CC(C)(C)OC(=O)N1Cc2cc(OCC(=O)NO)ccc2C[C@H]1C(=O)Nc1cccc(Cl)c1 |r|
Show InChI InChI=1S/C23H26ClN3O6/c1-23(2,3)33-22(30)27-12-15-9-18(32-13-20(28)26-31)8-7-14(15)10-19(27)21(29)25-17-6-4-5-16(24)11-17/h4-9,11,19,31H,10,12-13H2,1-3H3,(H,25,29)(H,26,28)/t19-/m0/s1
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n/an/a 1.17E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay

Bioorg Med Chem 18: 1761-72 (2010)


Article DOI: 10.1016/j.bmc.2010.01.060
BindingDB Entry DOI: 10.7270/Q2JD4WX3
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50308284
PNG
((S)-tert-Butyl 7-(2-(hydroxyamino)-2-oxoethoxy)-3-...)
Show SMILES CC(C)(C)OC(=O)N1Cc2cc(OCC(=O)NO)ccc2C[C@H]1C(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C23H27N3O6/c1-23(2,3)32-22(29)26-13-16-11-18(31-14-20(27)25-30)10-9-15(16)12-19(26)21(28)24-17-7-5-4-6-8-17/h4-11,19,30H,12-14H2,1-3H3,(H,24,28)(H,25,27)/t19-/m0/s1
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n/an/a 1.29E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay

Bioorg Med Chem 18: 1761-72 (2010)


Article DOI: 10.1016/j.bmc.2010.01.060
BindingDB Entry DOI: 10.7270/Q2JD4WX3
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 1.48E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay

Bioorg Med Chem 18: 1761-72 (2010)


Article DOI: 10.1016/j.bmc.2010.01.060
BindingDB Entry DOI: 10.7270/Q2JD4WX3
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50308304
PNG
((S)-tert-Butyl 3-(3-chloro-4-fluorophenylcarbamoyl...)
Show SMILES CC(C)(C)OC(=O)N1Cc2cc(OCC(=O)NO)ccc2C[C@H]1C(=O)Nc1ccc(F)c(Cl)c1 |r|
Show InChI InChI=1S/C23H25ClFN3O6/c1-23(2,3)34-22(31)28-11-14-8-16(33-12-20(29)27-32)6-4-13(14)9-19(28)21(30)26-15-5-7-18(25)17(24)10-15/h4-8,10,19,32H,9,11-12H2,1-3H3,(H,26,30)(H,27,29)/t19-/m0/s1
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n/an/a 1.55E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay

Bioorg Med Chem 18: 1761-72 (2010)


Article DOI: 10.1016/j.bmc.2010.01.060
BindingDB Entry DOI: 10.7270/Q2JD4WX3
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50308292
PNG
((S)-tert-Butyl 7-(2-(hydroxyamino)-2-oxoethoxy)-3-...)
Show SMILES Cc1ccc(NC(=O)[C@@H]2Cc3ccc(OCC(=O)NO)cc3CN2C(=O)OC(C)(C)C)cc1 |r|
Show InChI InChI=1S/C24H29N3O6/c1-15-5-8-18(9-6-15)25-22(29)20-12-16-7-10-19(32-14-21(28)26-31)11-17(16)13-27(20)23(30)33-24(2,3)4/h5-11,20,31H,12-14H2,1-4H3,(H,25,29)(H,26,28)/t20-/m0/s1
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n/an/a 1.65E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay

Bioorg Med Chem 18: 1761-72 (2010)


Article DOI: 10.1016/j.bmc.2010.01.060
BindingDB Entry DOI: 10.7270/Q2JD4WX3
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50308296
PNG
((S)-tert-Butyl 7-(2-(hydroxyamino)-2-oxoethoxy)-3-...)
Show SMILES Cc1cccc(NC(=O)[C@@H]2Cc3ccc(OCC(=O)NO)cc3CN2C(=O)OC(C)(C)C)c1 |r|
Show InChI InChI=1S/C24H29N3O6/c1-15-6-5-7-18(10-15)25-22(29)20-12-16-8-9-19(32-14-21(28)26-31)11-17(16)13-27(20)23(30)33-24(2,3)4/h5-11,20,31H,12-14H2,1-4H3,(H,25,29)(H,26,28)/t20-/m0/s1
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n/an/a 1.77E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay

Bioorg Med Chem 18: 1761-72 (2010)


Article DOI: 10.1016/j.bmc.2010.01.060
BindingDB Entry DOI: 10.7270/Q2JD4WX3
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50308308
PNG
((S)-tert-Butyl 3-(biphenyl-4-ylcarbamoyl)-7-(2-(hy...)
Show SMILES CC(C)(C)OC(=O)N1Cc2cc(OCC(=O)NO)ccc2C[C@H]1C(=O)Nc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C29H31N3O6/c1-29(2,3)38-28(35)32-17-22-15-24(37-18-26(33)31-36)14-11-21(22)16-25(32)27(34)30-23-12-9-20(10-13-23)19-7-5-4-6-8-19/h4-15,25,36H,16-18H2,1-3H3,(H,30,34)(H,31,33)/t25-/m0/s1
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n/an/a 1.98E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay

Bioorg Med Chem 18: 1761-72 (2010)


Article DOI: 10.1016/j.bmc.2010.01.060
BindingDB Entry DOI: 10.7270/Q2JD4WX3
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50308309
PNG
((S)-N-(Biphenyl-4-yl)-7-(2-(hydroxyamino)-2-oxoeth...)
Show SMILES ONC(=O)COc1ccc2C[C@H](NCc2c1)C(=O)Nc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C24H23N3O4/c28-23(27-30)15-31-21-11-8-18-13-22(25-14-19(18)12-21)24(29)26-20-9-6-17(7-10-20)16-4-2-1-3-5-16/h1-12,22,25,30H,13-15H2,(H,26,29)(H,27,28)/t22-/m0/s1
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n/an/a 2.21E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay

Bioorg Med Chem 18: 1761-72 (2010)


Article DOI: 10.1016/j.bmc.2010.01.060
BindingDB Entry DOI: 10.7270/Q2JD4WX3
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50308298
PNG
((S)-tert-Butyl 3-(4-fluorophenylcarbamoyl)-7-(2-(h...)
Show SMILES CC(C)(C)OC(=O)N1Cc2cc(OCC(=O)NO)ccc2C[C@H]1C(=O)Nc1ccc(F)cc1 |r|
Show InChI InChI=1S/C23H26FN3O6/c1-23(2,3)33-22(30)27-12-15-10-18(32-13-20(28)26-31)9-4-14(15)11-19(27)21(29)25-17-7-5-16(24)6-8-17/h4-10,19,31H,11-13H2,1-3H3,(H,25,29)(H,26,28)/t19-/m0/s1
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n/an/a 2.56E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay

Bioorg Med Chem 18: 1761-72 (2010)


Article DOI: 10.1016/j.bmc.2010.01.060
BindingDB Entry DOI: 10.7270/Q2JD4WX3
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50308288
PNG
((S)-tert-Butyl 7-(2-(hydroxyamino)-2-oxoethoxy)-3-...)
Show SMILES CC(C)(C)OC(=O)N1Cc2cc(OCC(=O)NO)ccc2C[C@H]1C(=O)NCCc1ccccc1 |r|
Show InChI InChI=1S/C25H31N3O6/c1-25(2,3)34-24(31)28-15-19-13-20(33-16-22(29)27-32)10-9-18(19)14-21(28)23(30)26-12-11-17-7-5-4-6-8-17/h4-10,13,21,32H,11-12,14-16H2,1-3H3,(H,26,30)(H,27,29)/t21-/m0/s1
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n/an/a 2.67E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay

Bioorg Med Chem 18: 1761-72 (2010)


Article DOI: 10.1016/j.bmc.2010.01.060
BindingDB Entry DOI: 10.7270/Q2JD4WX3
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50308310
PNG
((S)-tert-Butyl 7-(2-(hydroxyamino)-2-oxoethoxy)-3-...)
Show SMILES CCCCCNC(=O)[C@@H]1Cc2ccc(OCC(=O)NO)cc2CN1C(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C22H33N3O6/c1-5-6-7-10-23-20(27)18-12-15-8-9-17(30-14-19(26)24-29)11-16(15)13-25(18)21(28)31-22(2,3)4/h8-9,11,18,29H,5-7,10,12-14H2,1-4H3,(H,23,27)(H,24,26)/t18-/m0/s1
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n/an/a 3.02E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay

Bioorg Med Chem 18: 1761-72 (2010)


Article DOI: 10.1016/j.bmc.2010.01.060
BindingDB Entry DOI: 10.7270/Q2JD4WX3
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50308301
PNG
((S)-N-(3-chlorophenyl)-7-(2-(hydroxyamino)-2-oxoet...)
Show SMILES ONC(=O)COc1ccc2C[C@H](NCc2c1)C(=O)Nc1cccc(Cl)c1 |r|
Show InChI InChI=1S/C18H18ClN3O4/c19-13-2-1-3-14(8-13)21-18(24)16-7-11-4-5-15(6-12(11)9-20-16)26-10-17(23)22-25/h1-6,8,16,20,25H,7,9-10H2,(H,21,24)(H,22,23)/t16-/m0/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay

Bioorg Med Chem 18: 1761-72 (2010)


Article DOI: 10.1016/j.bmc.2010.01.060
BindingDB Entry DOI: 10.7270/Q2JD4WX3
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50308299
PNG
((S)-N-(4-Fluorophenyl)-7-(2-(hydroxyamino)-2-oxoet...)
Show SMILES ONC(=O)COc1ccc2C[C@H](NCc2c1)C(=O)Nc1ccc(F)cc1 |r|
Show InChI InChI=1S/C18H18FN3O4/c19-13-2-4-14(5-3-13)21-18(24)16-8-11-1-6-15(7-12(11)9-20-16)26-10-17(23)22-25/h1-7,16,20,25H,8-10H2,(H,21,24)(H,22,23)/t16-/m0/s1
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n/an/a 3.23E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay

Bioorg Med Chem 18: 1761-72 (2010)


Article DOI: 10.1016/j.bmc.2010.01.060
BindingDB Entry DOI: 10.7270/Q2JD4WX3
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50308305
PNG
((S)-N-(3-Chloro-4-fluorophenyl)-7-(2-(hydroxyamino...)
Show SMILES ONC(=O)COc1ccc2C[C@H](NCc2c1)C(=O)Nc1ccc(F)c(Cl)c1 |r|
Show InChI InChI=1S/C18H17ClFN3O4/c19-14-7-12(2-4-15(14)20)22-18(25)16-6-10-1-3-13(5-11(10)8-21-16)27-9-17(24)23-26/h1-5,7,16,21,26H,6,8-9H2,(H,22,25)(H,23,24)/t16-/m0/s1
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n/an/a 3.34E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay

Bioorg Med Chem 18: 1761-72 (2010)


Article DOI: 10.1016/j.bmc.2010.01.060
BindingDB Entry DOI: 10.7270/Q2JD4WX3
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50308303
PNG
((S)-N-(2,4-Dimethylphenyl)-7-(2-(hydroxyamino)-2-o...)
Show SMILES Cc1ccc(NC(=O)[C@@H]2Cc3ccc(OCC(=O)NO)cc3CN2)c(C)c1 |r|
Show InChI InChI=1S/C20H23N3O4/c1-12-3-6-17(13(2)7-12)22-20(25)18-9-14-4-5-16(8-15(14)10-21-18)27-11-19(24)23-26/h3-8,18,21,26H,9-11H2,1-2H3,(H,22,25)(H,23,24)/t18-/m0/s1
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n/an/a 3.39E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay

Bioorg Med Chem 18: 1761-72 (2010)


Article DOI: 10.1016/j.bmc.2010.01.060
BindingDB Entry DOI: 10.7270/Q2JD4WX3
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50308286
PNG
((S)-tert-Butyl 3-(benzylcarbamoyl)-7-(2-(hydroxyam...)
Show SMILES CC(C)(C)OC(=O)N1Cc2cc(OCC(=O)NO)ccc2C[C@H]1C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C24H29N3O6/c1-24(2,3)33-23(30)27-14-18-11-19(32-15-21(28)26-31)10-9-17(18)12-20(27)22(29)25-13-16-7-5-4-6-8-16/h4-11,20,31H,12-15H2,1-3H3,(H,25,29)(H,26,28)/t20-/m0/s1
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n/an/a 3.41E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay

Bioorg Med Chem 18: 1761-72 (2010)


Article DOI: 10.1016/j.bmc.2010.01.060
BindingDB Entry DOI: 10.7270/Q2JD4WX3
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50308311
PNG
((S)-7-(2-(Hydroxyamino)-2-oxoethoxy)-N-pentyl-1,2,...)
Show SMILES CCCCCNC(=O)[C@@H]1Cc2ccc(OCC(=O)NO)cc2CN1 |r|
Show InChI InChI=1S/C17H25N3O4/c1-2-3-4-7-18-17(22)15-9-12-5-6-14(8-13(12)10-19-15)24-11-16(21)20-23/h5-6,8,15,19,23H,2-4,7,9-11H2,1H3,(H,18,22)(H,20,21)/t15-/m0/s1
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n/an/a 3.54E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay

Bioorg Med Chem 18: 1761-72 (2010)


Article DOI: 10.1016/j.bmc.2010.01.060
BindingDB Entry DOI: 10.7270/Q2JD4WX3
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50308297
PNG
((S)-7-(2-(Hydroxyamino)-2-oxoethoxy)-N-m-tolyl-1,2...)
Show SMILES Cc1cccc(NC(=O)[C@@H]2Cc3ccc(OCC(=O)NO)cc3CN2)c1 |r|
Show InChI InChI=1S/C19H21N3O4/c1-12-3-2-4-15(7-12)21-19(24)17-9-13-5-6-16(8-14(13)10-20-17)26-11-18(23)22-25/h2-8,17,20,25H,9-11H2,1H3,(H,21,24)(H,22,23)/t17-/m0/s1
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n/an/a 3.62E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay

Bioorg Med Chem 18: 1761-72 (2010)


Article DOI: 10.1016/j.bmc.2010.01.060
BindingDB Entry DOI: 10.7270/Q2JD4WX3
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50308302
PNG
((S)-tert-Butyl 3-(2, 4-dimethylphenylcarbamoyl)-7-...)
Show SMILES Cc1ccc(NC(=O)[C@@H]2Cc3ccc(OCC(=O)NO)cc3CN2C(=O)OC(C)(C)C)c(C)c1 |r|
Show InChI InChI=1S/C25H31N3O6/c1-15-6-9-20(16(2)10-15)26-23(30)21-12-17-7-8-19(33-14-22(29)27-32)11-18(17)13-28(21)24(31)34-25(3,4)5/h6-11,21,32H,12-14H2,1-5H3,(H,26,30)(H,27,29)/t21-/m0/s1
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n/an/a 3.78E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay

Bioorg Med Chem 18: 1761-72 (2010)


Article DOI: 10.1016/j.bmc.2010.01.060
BindingDB Entry DOI: 10.7270/Q2JD4WX3
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50308293
PNG
((S)-7-(2-(Hydroxyamino)-2-oxoethoxy)-N-p-tolyl-1,2...)
Show SMILES Cc1ccc(NC(=O)[C@@H]2Cc3ccc(OCC(=O)NO)cc3CN2)cc1 |r|
Show InChI InChI=1S/C19H21N3O4/c1-12-2-5-15(6-3-12)21-19(24)17-9-13-4-7-16(8-14(13)10-20-17)26-11-18(23)22-25/h2-8,17,20,25H,9-11H2,1H3,(H,21,24)(H,22,23)/t17-/m0/s1
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n/an/a 3.82E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay

Bioorg Med Chem 18: 1761-72 (2010)


Article DOI: 10.1016/j.bmc.2010.01.060
BindingDB Entry DOI: 10.7270/Q2JD4WX3
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50308294
PNG
((S)-tert-Butyl 7-(2-(hydroxyamino)-2-oxoethoxy)-3-...)
Show SMILES Cc1ccccc1NC(=O)[C@@H]1Cc2ccc(OCC(=O)NO)cc2CN1C(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C24H29N3O6/c1-15-7-5-6-8-19(15)25-22(29)20-12-16-9-10-18(32-14-21(28)26-31)11-17(16)13-27(20)23(30)33-24(2,3)4/h5-11,20,31H,12-14H2,1-4H3,(H,25,29)(H,26,28)/t20-/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay

Bioorg Med Chem 18: 1761-72 (2010)


Article DOI: 10.1016/j.bmc.2010.01.060
BindingDB Entry DOI: 10.7270/Q2JD4WX3
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50308289
PNG
((S)-7-(2-(Hydroxyamino)-2-oxoethoxy)-N-phenethyl-1...)
Show SMILES ONC(=O)COc1ccc2C[C@H](NCc2c1)C(=O)NCCc1ccccc1 |r|
Show InChI InChI=1S/C20H23N3O4/c24-19(23-26)13-27-17-7-6-15-11-18(22-12-16(15)10-17)20(25)21-9-8-14-4-2-1-3-5-14/h1-7,10,18,22,26H,8-9,11-13H2,(H,21,25)(H,23,24)/t18-/m0/s1
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n/an/a 4.07E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay

Bioorg Med Chem 18: 1761-72 (2010)


Article DOI: 10.1016/j.bmc.2010.01.060
BindingDB Entry DOI: 10.7270/Q2JD4WX3
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50308295
PNG
((S)-7-(2-(Hydroxyamino)-2-oxoethoxy)-N-o-tolyl-1,2...)
Show SMILES Cc1ccccc1NC(=O)[C@@H]1Cc2ccc(OCC(=O)NO)cc2CN1 |r|
Show InChI InChI=1S/C19H21N3O4/c1-12-4-2-3-5-16(12)21-19(24)17-9-13-6-7-15(8-14(13)10-20-17)26-11-18(23)22-25/h2-8,17,20,25H,9-11H2,1H3,(H,21,24)(H,22,23)/t17-/m0/s1
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n/an/a 4.13E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay

Bioorg Med Chem 18: 1761-72 (2010)


Article DOI: 10.1016/j.bmc.2010.01.060
BindingDB Entry DOI: 10.7270/Q2JD4WX3
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50308306
PNG
((S)-tert-Butyl 7-(2-(hydroxyamino)-2-oxoethoxy)-3-...)
Show SMILES CC(C)(C)OC(=O)N1Cc2cc(OCC(=O)NO)ccc2C[C@H]1C(=O)Nc1cccc2ccccc12 |r|
Show InChI InChI=1S/C27H29N3O6/c1-27(2,3)36-26(33)30-15-19-13-20(35-16-24(31)29-34)12-11-18(19)14-23(30)25(32)28-22-10-6-8-17-7-4-5-9-21(17)22/h4-13,23,34H,14-16H2,1-3H3,(H,28,32)(H,29,31)/t23-/m0/s1
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n/an/a 4.25E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay

Bioorg Med Chem 18: 1761-72 (2010)


Article DOI: 10.1016/j.bmc.2010.01.060
BindingDB Entry DOI: 10.7270/Q2JD4WX3
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50308312
PNG
((S)-tert-Butyl 3-(hexylcarbamoyl)-7-(2-(hydroxyami...)
Show SMILES CCCCCCNC(=O)[C@@H]1Cc2ccc(OCC(=O)NO)cc2CN1C(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C23H35N3O6/c1-5-6-7-8-11-24-21(28)19-13-16-9-10-18(31-15-20(27)25-30)12-17(16)14-26(19)22(29)32-23(2,3)4/h9-10,12,19,30H,5-8,11,13-15H2,1-4H3,(H,24,28)(H,25,27)/t19-/m0/s1
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n/an/a 4.42E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay

Bioorg Med Chem 18: 1761-72 (2010)


Article DOI: 10.1016/j.bmc.2010.01.060
BindingDB Entry DOI: 10.7270/Q2JD4WX3
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50308314
PNG
((S)-tert-Butyl 3-(tert-butylcarbamoyl)-7-(2-(hydro...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1Cc2ccc(OCC(=O)NO)cc2CN1C(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C21H31N3O6/c1-20(2,3)22-18(26)16-10-13-7-8-15(29-12-17(25)23-28)9-14(13)11-24(16)19(27)30-21(4,5)6/h7-9,16,28H,10-12H2,1-6H3,(H,22,26)(H,23,25)/t16-/m0/s1
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n/an/a 4.58E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay

Bioorg Med Chem 18: 1761-72 (2010)


Article DOI: 10.1016/j.bmc.2010.01.060
BindingDB Entry DOI: 10.7270/Q2JD4WX3
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50308287
PNG
((S)-N-Benzyl-7-(2-(hydroxyamino)-2-oxoethoxy)-1,2,...)
Show SMILES ONC(=O)COc1ccc2C[C@H](NCc2c1)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C19H21N3O4/c23-18(22-25)12-26-16-7-6-14-9-17(20-11-15(14)8-16)19(24)21-10-13-4-2-1-3-5-13/h1-8,17,20,25H,9-12H2,(H,21,24)(H,22,23)/t17-/m0/s1
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n/an/a 5.10E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay

Bioorg Med Chem 18: 1761-72 (2010)


Article DOI: 10.1016/j.bmc.2010.01.060
BindingDB Entry DOI: 10.7270/Q2JD4WX3
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50308291
PNG
((S)-7-(2-(Hydroxyamino)-2-oxoethoxy)-N-(4-methoxyp...)
Show SMILES COc1ccc(NC(=O)[C@@H]2Cc3ccc(OCC(=O)NO)cc3CN2)cc1 |r|
Show InChI InChI=1S/C19H21N3O5/c1-26-15-6-3-14(4-7-15)21-19(24)17-9-12-2-5-16(8-13(12)10-20-17)27-11-18(23)22-25/h2-8,17,20,25H,9-11H2,1H3,(H,21,24)(H,22,23)/t17-/m0/s1
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n/an/a 5.57E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay

Bioorg Med Chem 18: 1761-72 (2010)


Article DOI: 10.1016/j.bmc.2010.01.060
BindingDB Entry DOI: 10.7270/Q2JD4WX3
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50308313
PNG
((S)-N-hexyl-7-(2-(hydroxyamino)-2-oxoethoxy)-1,2,3...)
Show SMILES CCCCCCNC(=O)[C@@H]1Cc2ccc(OCC(=O)NO)cc2CN1 |r|
Show InChI InChI=1S/C18H27N3O4/c1-2-3-4-5-8-19-18(23)16-10-13-6-7-15(9-14(13)11-20-16)25-12-17(22)21-24/h6-7,9,16,20,24H,2-5,8,10-12H2,1H3,(H,19,23)(H,21,22)/t16-/m0/s1
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n/an/a 5.77E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay

Bioorg Med Chem 18: 1761-72 (2010)


Article DOI: 10.1016/j.bmc.2010.01.060
BindingDB Entry DOI: 10.7270/Q2JD4WX3
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50308285
PNG
((S)-7-(2-(Hydroxyamino)-2-oxoethoxy)-N-phenyl-1,2,...)
Show SMILES ONC(=O)COc1ccc2C[C@H](NCc2c1)C(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C18H19N3O4/c22-17(21-24)11-25-15-7-6-12-9-16(19-10-13(12)8-15)18(23)20-14-4-2-1-3-5-14/h1-8,16,19,24H,9-11H2,(H,20,23)(H,21,22)/t16-/m0/s1
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n/an/a 8.21E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay

Bioorg Med Chem 18: 1761-72 (2010)


Article DOI: 10.1016/j.bmc.2010.01.060
BindingDB Entry DOI: 10.7270/Q2JD4WX3
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50308315
PNG
((S)-N-tert-Butyl-7-(2-(hydroxyamino)-2-oxoethoxy)-...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1Cc2ccc(OCC(=O)NO)cc2CN1 |r|
Show InChI InChI=1S/C16H23N3O4/c1-16(2,3)18-15(21)13-7-10-4-5-12(6-11(10)8-17-13)23-9-14(20)19-22/h4-6,13,17,22H,7-9H2,1-3H3,(H,18,21)(H,19,20)/t13-/m0/s1
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n/an/a 1.22E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay

Bioorg Med Chem 18: 1761-72 (2010)


Article DOI: 10.1016/j.bmc.2010.01.060
BindingDB Entry DOI: 10.7270/Q2JD4WX3
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50308317
PNG
((S)-Benzyl 7-(2-(hydroxyamino)-2-oxoethoxy)-3-(phe...)
Show SMILES ONC(=O)COc1ccc2Cc3c(O)n(-c4ccccc4)c(=O)n3Cc2c1
Show InChI InChI=1S/C19H17N3O5/c23-17(20-26)11-27-15-7-6-12-9-16-18(24)22(14-4-2-1-3-5-14)19(25)21(16)10-13(12)8-15/h1-8,24,26H,9-11H2,(H,20,23)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay

Bioorg Med Chem 18: 1761-72 (2010)


Article DOI: 10.1016/j.bmc.2010.01.060
BindingDB Entry DOI: 10.7270/Q2JD4WX3
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50308318
PNG
((S)-Benzyl 3-(biphenyl-4-ylcarbamoyl)-7-(2-(hydrox...)
Show SMILES ONC(=O)COc1ccc2Cc3c(O)n(-c4ccc(cc4)-c4ccccc4)c(=O)n3Cc2c1
Show InChI InChI=1S/C25H21N3O5/c29-23(26-32)15-33-21-11-8-18-13-22-24(30)28(25(31)27(22)14-19(18)12-21)20-9-6-17(7-10-20)16-4-2-1-3-5-16/h1-12,30,32H,13-15H2,(H,26,29)
PDB
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KEGG

UniProtKB/SwissProt

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PC cid
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UniChem

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Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay

Bioorg Med Chem 18: 1761-72 (2010)


Article DOI: 10.1016/j.bmc.2010.01.060
BindingDB Entry DOI: 10.7270/Q2JD4WX3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%