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Compile Data Set for Download or QSAR

Found 3973 hits of ic50 data for polymerid = 1996   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50515971
PNG
(CHEMBL4441774)
Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C(/F)CCS)n2 |r,c:11|
Show InChI InChI=1S/C21H27FN4O4S3/c1-11(2)17-19(28)30-13(6-12(22)4-5-31)7-15(27)23-8-16-24-14(9-32-16)18-26-21(3,10-33-18)20(29)25-17/h6,9,11,13,17,31H,4-5,7-8,10H2,1-3H3,(H,23,27)(H,25,29)/b12-6-/t13-,17+,21+/m1/s1
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n/an/a 0.410n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of full length C-terminal His-tagged human HDAC8 expressed in baculovirus infected Sf9 cells using Ac-peptide-AMC as substrate preincubate...

Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111672
BindingDB Entry DOI: 10.7270/Q2KK9G56
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50534338
PNG
(CHEMBL4534486)
Show SMILES ONC(=O)[C@H](Cc1ccccc1)n1nnc(c1C#CC1CC1)-c1ccccc1 |r|
Show InChI InChI=1S/C22H20N4O2/c27-22(24-28)20(15-17-7-3-1-4-8-17)26-19(14-13-16-11-12-16)21(23-25-26)18-9-5-2-6-10-18/h1-10,16,20,28H,11-12,15H2,(H,24,27)/t20-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant HDAC8 using H2N-Arg-His-Lys(Ac)-Lys(Ac)-AMC as substrate after 90 mins by fluorescence based micro plate assay

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112338
BindingDB Entry DOI: 10.7270/Q2VD7363
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50534338
PNG
(CHEMBL4534486)
Show SMILES ONC(=O)[C@H](Cc1ccccc1)n1nnc(c1C#CC1CC1)-c1ccccc1 |r|
Show InChI InChI=1S/C22H20N4O2/c27-22(24-28)20(15-17-7-3-1-4-8-17)26-19(14-13-16-11-12-16)21(23-25-26)18-9-5-2-6-10-18/h1-10,16,20,28H,11-12,15H2,(H,24,27)/t20-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Boston University

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 (unknown origin) using fluorophore-conjugated substrate by fluorescence assay

ACS Med Chem Lett 7: 929-932 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00239
BindingDB Entry DOI: 10.7270/Q2QC0718
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM25146
PNG
(2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-7-oxo...)
Show SMILES COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(C)=O)c3nc(c[nH]3)-c3ccccc3)c2c1 |r|
Show InChI InChI=1S/C29H34N4O3/c1-19(34)10-6-4-9-13-26(29-30-18-27(33-29)21-11-7-5-8-12-21)32-28(35)17-23-20(2)31-25-15-14-22(36-3)16-24(23)25/h5,7-8,11-12,14-16,18,26,31H,4,6,9-10,13,17H2,1-3H3,(H,30,33)(H,32,35)/t26-/m0/s1
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n/an/a>1n/an/an/an/an/an/a



IRBM/Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC8

Bioorg Med Chem Lett 18: 5528-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.003
BindingDB Entry DOI: 10.7270/Q24T6K81
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>1n/an/an/an/an/an/a



IRBM/Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC8

Bioorg Med Chem Lett 18: 5528-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.003
BindingDB Entry DOI: 10.7270/Q24T6K81
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50258539
PNG
((S)-1-methyl-N-(1-(5-(naphthalen-2-yl)-1H-imidazol...)
Show SMILES CN1CCC(CC1)C(=O)N[C@@H](CCCCCC(C)=O)c1nc(c[nH]1)-c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C28H36N4O2/c1-20(33)8-4-3-5-11-25(31-28(34)22-14-16-32(2)17-15-22)27-29-19-26(30-27)24-13-12-21-9-6-7-10-23(21)18-24/h6-7,9-10,12-13,18-19,22,25H,3-5,8,11,14-17H2,1-2H3,(H,29,30)(H,31,34)/t25-/m0/s1
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n/an/a>1n/an/an/an/an/an/a



IRBM/Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC8

Bioorg Med Chem Lett 18: 5528-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.003
BindingDB Entry DOI: 10.7270/Q24T6K81
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50530002
PNG
(CHEMBL4532398)
Show SMILES C[C@@H]1CN(CCO1)C(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(CCCCCCC(=O)NO)c2n1 |r|
Show InChI InChI=1S/C28H38N8O5/c1-20-19-35(14-17-41-20)28(38)30-22-9-7-21(8-10-22)25-31-26(34-12-15-40-16-13-34)23-18-29-36(27(23)32-25)11-5-3-2-4-6-24(37)33-39/h7-10,18,20,39H,2-6,11-17,19H2,1H3,(H,30,38)(H,33,37)/t20-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length C-terminal His-tagged human HDAC8 expressed in baculovirus expression system using Ac-peptide-AMC as substrate ...

J Med Chem 62: 1577-1592 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01825
BindingDB Entry DOI: 10.7270/Q20868S8
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50530002
PNG
(CHEMBL4532398)
Show SMILES C[C@@H]1CN(CCO1)C(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(CCCCCCC(=O)NO)c2n1 |r|
Show InChI InChI=1S/C28H38N8O5/c1-20-19-35(14-17-41-20)28(38)30-22-9-7-21(8-10-22)25-31-26(34-12-15-40-16-13-34)23-18-29-36(27(23)32-25)11-5-3-2-4-6-24(37)33-39/h7-10,18,20,39H,2-6,11-17,19H2,1H3,(H,30,38)(H,33,37)/t20-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length C-terminal His-tagged human HDAC8 expressed in baculovirus expression system using Ac-peptide-AMC as substrate ...

J Med Chem 62: 1577-1592 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01825
BindingDB Entry DOI: 10.7270/Q20868S8
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
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n/an/a 1.38n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 (unknown origin) after 17 hrs

J Med Chem 51: 4370-3 (2008)


Article DOI: 10.1021/jm8002894
BindingDB Entry DOI: 10.7270/Q27W6C11
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50188961
PNG
(CHEMBL3622533)
Show SMILES COc1ccc(cn1)-c1nc(N2CCOCC2)c2sc(CN(C)c3ncc(cn3)C(=O)NO)cc2n1
Show InChI InChI=1S/C23H24N8O4S/c1-30(23-25-11-15(12-26-23)22(32)29-33)13-16-9-17-19(36-16)21(31-5-7-35-8-6-31)28-20(27-17)14-3-4-18(34-2)24-10-14/h3-4,9-12,33H,5-8,13H2,1-2H3,(H,29,32)
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n/an/a 1.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length C-terminal His-tagged HDAC8 expressed in baculovirus infected Sf9 insect cells using Ac-peptide as substr...

J Med Chem 62: 6992-7014 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00390
BindingDB Entry DOI: 10.7270/Q2RF5Z80
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50486596
PNG
(CHEMBL2235264)
Show SMILES ONC(=O)CCCCCCCC(=O)c1ccc(cc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C21H24BrNO3/c22-19-14-12-17(13-15-19)16-8-10-18(11-9-16)20(24)6-4-2-1-3-5-7-21(25)23-26/h8-15,26H,1-7H2,(H,23,25)
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n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Homo sapiens (human) HDAC8

Citation and Details

Article DOI: 10.1007/s00044-011-9571-y
BindingDB Entry DOI: 10.7270/Q2KH0R79
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50564261
PNG
(CHEMBL4786031)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1n[nH]c2cc(ccc12)-c1ccccc1F
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n/an/a 2.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full length C-terminal His-tagged HDAC8 expressed in sf9 insect cells using Boc-Lys(TFA)-AM as substrate incubated fo...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112189
BindingDB Entry DOI: 10.7270/Q2CJ8J6W
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50089085
PNG
(CHEMBL3577694)
Show SMILES CN1C2N(CCc3c2[nH]c2ccc(O)cc32)C(=O)c2cc(NCc3ccc(cc3)-c3noc(CCCCCCC(=O)NO)n3)ccc12
Show InChI InChI=1S/C35H37N7O5/c1-41-29-15-12-23(18-27(29)35(45)42-17-16-25-26-19-24(43)13-14-28(26)37-32(25)34(41)42)36-20-21-8-10-22(11-9-21)33-38-31(47-40-33)7-5-3-2-4-6-30(44)39-46/h8-15,18-19,34,36-37,43,46H,2-7,16-17,20H2,1H3,(H,39,44)
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n/an/a 2.5n/an/an/an/an/an/a



Fujian University of Traditional Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal His-tagged full length human HDAC8 expressed in baculovirus infected insect Sf9 cells using fluorogenic HDAC cla...

ACS Med Chem Lett 6: 239-43 (2015)


Article DOI: 10.1021/ml500327q
BindingDB Entry DOI: 10.7270/Q23F4RCK
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50534343
PNG
(CHEMBL4529036)
Show SMILES COc1cc(OC)cc(c1)-c1nnn([C@@H](Cc2ccccc2)C(=O)NO)c1C#CC1CC1 |r|
Show InChI InChI=1S/C24H24N4O4/c1-31-19-13-18(14-20(15-19)32-2)23-21(11-10-16-8-9-16)28(27-25-23)22(24(29)26-30)12-17-6-4-3-5-7-17/h3-7,13-16,22,30H,8-9,12H2,1-2H3,(H,26,29)/t22-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Boston University

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 (unknown origin) using fluorophore-conjugated substrate by fluorescence assay

ACS Med Chem Lett 7: 929-932 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00239
BindingDB Entry DOI: 10.7270/Q2QC0718
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50564254
PNG
(CHEMBL4790137)
Show SMILES COc1cccc(c1)-c1ccc2c(NC(=O)CCCCCCC(=O)NO)n[nH]c2c1
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TBA

Assay Description
Inhibition of recombinant human full length C-terminal His-tagged HDAC8 expressed in sf9 insect cells using Boc-Lys(TFA)-AM as substrate incubated fo...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112189
BindingDB Entry DOI: 10.7270/Q2CJ8J6W
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50544211
PNG
(CHEMBL4641682)
Show SMILES CN1CC(C1)C(=O)N[C@@H](CCCCCC(=O)c1ccon1)c1ncc([nH]1)-c1ccccc1F |r|
Show InChI InChI=1S/C24H28FN5O3/c1-30-14-16(15-30)24(32)28-20(9-3-2-4-10-22(31)19-11-12-33-29-19)23-26-13-21(27-23)17-7-5-6-8-18(17)25/h5-8,11-13,16,20H,2-4,9-10,14-15H2,1H3,(H,26,27)(H,28,32)/t20-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8 expressed in Escherichia coli using FLUOR DE LYS as substrate preincubated for 3 hrs followed by substrate addi...

ACS Med Chem Lett 11: 1476-1483 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00302
BindingDB Entry DOI: 10.7270/Q2RV0S85
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50564258
PNG
(CHEMBL4793650)
Show SMILES COc1ccc(cc1OC)-c1ccc2c(NC(=O)CCCCCCC(=O)NO)n[nH]c2c1
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n/an/a 3.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full length C-terminal His-tagged HDAC8 expressed in sf9 insect cells using Boc-Lys(TFA)-AM as substrate incubated fo...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112189
BindingDB Entry DOI: 10.7270/Q2CJ8J6W
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50564265
PNG
(CHEMBL4786350)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1n[nH]c2cc(ccc12)-c1ccc(Cl)cc1
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TBA

Assay Description
Inhibition of recombinant human full length C-terminal His-tagged HDAC8 expressed in sf9 insect cells using Boc-Lys(TFA)-AM as substrate incubated fo...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112189
BindingDB Entry DOI: 10.7270/Q2CJ8J6W
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50564273
PNG
(CHEMBL4777182)
Show SMILES COc1cccc(c1)-c1ccc2c(NC(=O)CCCCCCC(=O)NO)n[nH]c2n1
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TBA

Assay Description
Inhibition of recombinant human full length C-terminal His-tagged HDAC8 expressed in sf9 insect cells using Boc-Lys(TFA)-AM as substrate incubated fo...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112189
BindingDB Entry DOI: 10.7270/Q2CJ8J6W
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50564265
PNG
(CHEMBL4786350)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1n[nH]c2cc(ccc12)-c1ccc(Cl)cc1
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n/an/a 3.30n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112954
BindingDB Entry DOI: 10.7270/Q2833X1W
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50564255
PNG
(CHEMBL4776328)
Show SMILES CCOc1cccc(c1)-c1ccc2c(NC(=O)CCCCCCC(=O)NO)n[nH]c2c1
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TBA

Assay Description
Inhibition of recombinant human full length C-terminal His-tagged HDAC8 expressed in sf9 insect cells using Boc-Lys(TFA)-AM as substrate incubated fo...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112189
BindingDB Entry DOI: 10.7270/Q2CJ8J6W
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50564263
PNG
(CHEMBL4788954)
Show SMILES COc1ccc(cc1)-c1ccc2c(NC(=O)CCCCCCC(=O)NO)n[nH]c2c1
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n/an/a 3.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full length C-terminal His-tagged HDAC8 expressed in sf9 insect cells using Boc-Lys(TFA)-AM as substrate incubated fo...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112189
BindingDB Entry DOI: 10.7270/Q2CJ8J6W
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50564263
PNG
(CHEMBL4788954)
Show SMILES COc1ccc(cc1)-c1ccc2c(NC(=O)CCCCCCC(=O)NO)n[nH]c2c1
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112954
BindingDB Entry DOI: 10.7270/Q2833X1W
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50098414
PNG
(CHEMBL3593247)
Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)n2 |r,c:11|
Show InChI InChI=1S/C21H28N4O4S3/c1-12(2)17-19(27)29-13(6-4-5-7-30)8-15(26)22-9-16-23-14(10-31-16)18-25-21(3,11-32-18)20(28)24-17/h4,6,10,12-13,17,30H,5,7-9,11H2,1-3H3,(H,22,26)(H,24,28)/b6-4+/t13-,17+,21+/m1/s1
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n/an/a 3.80n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of full length C-terminal His-tagged human HDAC8 expressed in baculovirus infected Sf9 cells using Ac-peptide-AMC as substrate preincubate...

Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111672
BindingDB Entry DOI: 10.7270/Q2KK9G56
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM19428
PNG
((2E)-N-hydroxy-3-(4-{[(2-hydroxyethyl)[2-(1H-indol...)
Show SMILES OCCN(CCc1c[nH]c2ccccc12)Cc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C22H25N3O3/c26-14-13-25(12-11-19-15-23-21-4-2-1-3-20(19)21)16-18-7-5-17(6-8-18)9-10-22(27)24-28/h1-10,15,23,26,28H,11-14,16H2,(H,24,27)/b10-9+
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n/an/a 3.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8 by fluorimetric assay

J Med Chem 53: 8387-8399 (2010)


Article DOI: 10.1021/jm101092u
BindingDB Entry DOI: 10.7270/Q28G8KZJ
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50564256
PNG
(CHEMBL4792980)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1n[nH]c2cc(ccc12)-c1cccc(Cl)c1
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TBA

Assay Description
Inhibition of recombinant human full length C-terminal His-tagged HDAC8 expressed in sf9 insect cells using Boc-Lys(TFA)-AM as substrate incubated fo...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112189
BindingDB Entry DOI: 10.7270/Q2CJ8J6W
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50105327
PNG
(JNJ-26481585 | Quisinostat)
Show SMILES Cn1cc(CNCC2CCN(CC2)c2ncc(cn2)C(=O)NO)c2ccccc12
Show InChI InChI=1S/C21H26N6O2/c1-26-14-17(18-4-2-3-5-19(18)26)11-22-10-15-6-8-27(9-7-15)21-23-12-16(13-24-21)20(28)25-29/h2-5,12-15,22,29H,6-11H2,1H3,(H,25,28)
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n/an/a 4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human HDAC8 expressed in baculovirus infected sf9 cells using p53 residues 379-382 (RHKAcKAc) as substrate by fluorescence-based assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00830
BindingDB Entry DOI: 10.7270/Q2F76H9K
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50486590
PNG
(CHEMBL2235262)
Show SMILES ONC(=O)CCCCCCC\C(=N/O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H26N2O3/c24-21(23-26)12-8-3-1-2-7-11-20(22-25)19-15-13-18(14-16-19)17-9-5-4-6-10-17/h4-6,9-10,13-16,25-26H,1-3,7-8,11-12H2,(H,23,24)/b22-20+
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n/an/a 4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Homo sapiens (human) HDAC8

Citation and Details

Article DOI: 10.1007/s00044-011-9571-y
BindingDB Entry DOI: 10.7270/Q2KH0R79
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50397360
PNG
(CHEMBL2170177 | US10188756, Compound CN110)
Show SMILES COc1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1
Show InChI InChI=1S/C17H16N2O3/c1-22-15-6-2-12(3-7-15)11-19-9-8-13-4-5-14(10-16(13)19)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20)
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n/an/a 4n/an/an/an/an/an/a



University of Toronto Mississauga

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged full length human HDAC8 expressed in baculovirus expression system using FAM-RHKK(TF-Ac)-NH2 substrate incubated ...

J Med Chem 63: 8634-8648 (2020)


Article DOI: 10.1021/acs.jmedchem.0c01025
BindingDB Entry DOI: 10.7270/Q2CC1470
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50564257
PNG
(CHEMBL4792567)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1n[nH]c2cc(ccc12)-c1ccccc1Cl
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TBA

Assay Description
Inhibition of recombinant human full length C-terminal His-tagged HDAC8 expressed in sf9 insect cells using Boc-Lys(TFA)-AM as substrate incubated fo...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112189
BindingDB Entry DOI: 10.7270/Q2CJ8J6W
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50534347
PNG
(CHEMBL4476253)
Show SMILES ONC(=O)[C@H](Cc1ccccc1)n1nnc(-c2ccsc2)c1C#CC1CC1 |r|
Show InChI InChI=1S/C20H18N4O2S/c25-20(22-26)18(12-15-4-2-1-3-5-15)24-17(9-8-14-6-7-14)19(21-23-24)16-10-11-27-13-16/h1-5,10-11,13-14,18,26H,6-7,12H2,(H,22,25)/t18-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Boston University

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 (unknown origin) using fluorophore-conjugated substrate by fluorescence assay

ACS Med Chem Lett 7: 929-932 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00239
BindingDB Entry DOI: 10.7270/Q2QC0718
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50564264
PNG
(CHEMBL4782066)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1n[nH]c2cc(ccc12)-c1cccc(c1)C(F)(F)F
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n/an/a 4.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full length C-terminal His-tagged HDAC8 expressed in sf9 insect cells using Boc-Lys(TFA)-AM as substrate incubated fo...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112189
BindingDB Entry DOI: 10.7270/Q2CJ8J6W
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50564262
PNG
(CHEMBL4786063)
Show SMILES COc1ccccc1-c1ccc2c(NC(=O)CCCCCCC(=O)NO)n[nH]c2c1
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n/an/a 4.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full length C-terminal His-tagged HDAC8 expressed in sf9 insect cells using Boc-Lys(TFA)-AM as substrate incubated fo...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112189
BindingDB Entry DOI: 10.7270/Q2CJ8J6W
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50105327
PNG
(JNJ-26481585 | Quisinostat)
Show SMILES Cn1cc(CNCC2CCN(CC2)c2ncc(cn2)C(=O)NO)c2ccccc12
Show InChI InChI=1S/C21H26N6O2/c1-26-14-17(18-4-2-3-5-19(18)26)11-22-10-15-6-8-27(9-7-15)21-23-12-16(13-24-21)20(28)25-29/h2-5,12-15,22,29H,6-11H2,1H3,(H,25,28)
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n/an/a 4.30n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113332
BindingDB Entry DOI: 10.7270/Q2F76HH8
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50564266
PNG
(CHEMBL4788942)
Show SMILES COc1cc(OC)cc(c1)-c1ccc2c(NC(=O)CCCCCCC(=O)NO)n[nH]c2c1
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n/an/a 4.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full length C-terminal His-tagged HDAC8 expressed in sf9 insect cells using Boc-Lys(TFA)-AM as substrate incubated fo...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112189
BindingDB Entry DOI: 10.7270/Q2CJ8J6W
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50564260
PNG
(CHEMBL4776974)
Show SMILES COc1cccc(c1F)-c1ccc2c(NC(=O)CCCCCCC(=O)NO)n[nH]c2c1
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n/an/a 4.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full length C-terminal His-tagged HDAC8 expressed in sf9 insect cells using Boc-Lys(TFA)-AM as substrate incubated fo...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112189
BindingDB Entry DOI: 10.7270/Q2CJ8J6W
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50564271
PNG
(CHEMBL4782988)
Show SMILES COc1cccc(c1)-c1ccc2c(NC(=O)CCCCCC(=O)NO)n[nH]c2c1
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n/an/a 4.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full length C-terminal His-tagged HDAC8 expressed in sf9 insect cells using Boc-Lys(TFA)-AM as substrate incubated fo...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112189
BindingDB Entry DOI: 10.7270/Q2CJ8J6W
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50486567
PNG
(CHEMBL2235266)
Show SMILES ONC(=O)CCCCCCCC(=O)c1ccc(cc1)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C25H33N3O3/c29-24(11-7-2-1-3-8-12-25(30)26-31)21-13-15-23(16-14-21)28-19-17-27(18-20-28)22-9-5-4-6-10-22/h4-6,9-10,13-16,31H,1-3,7-8,11-12,17-20H2,(H,26,30)
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TBA

Assay Description
Inhibition of Homo sapiens (human) HDAC8

Citation and Details

Article DOI: 10.1007/s00044-011-9571-y
BindingDB Entry DOI: 10.7270/Q2KH0R79
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50142796
PNG
(CHEMBL3759186)
Show SMILES COc1cc2ncnc(Nc3ccc(Br)cc3)c2cc1OCCCCCCC(=O)NO
Show InChI InChI=1S/C22H25BrN4O4/c1-30-19-13-18-17(12-20(19)31-11-5-3-2-4-6-21(28)27-29)22(25-14-24-18)26-16-9-7-15(23)8-10-16/h7-10,12-14,29H,2-6,11H2,1H3,(H,27,28)(H,24,25,26)
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n/an/a 4.60n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 (unknown origin) preincubated for 15 mins followed by addition of Fluor de Lys as substrate for 1 hr by fluorometric assay

Eur J Med Chem 109: 1-12 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.033
BindingDB Entry DOI: 10.7270/Q2377BJX
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50564259
PNG
(CHEMBL4799886)
Show SMILES COc1ccc(F)c(c1)-c1ccc2c(NC(=O)CCCCCCC(=O)NO)n[nH]c2c1
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n/an/a 4.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full length C-terminal His-tagged HDAC8 expressed in sf9 insect cells using Boc-Lys(TFA)-AM as substrate incubated fo...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112189
BindingDB Entry DOI: 10.7270/Q2CJ8J6W
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM29589
PNG
(Faridak | LBH-589 | LBH-589B | Panobinostat | US10...)
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 4.90n/an/an/an/an/an/a



West China Hospital of Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of full length C-terminal His-tagged human recombinant HDAC8 expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC as su...

J Med Chem 59: 5488-504 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00579
BindingDB Entry DOI: 10.7270/Q2T155K0
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50486573
PNG
(CHEMBL2235260)
Show SMILES ONC(=O)CCCCCCCC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H25NO3/c23-20(11-7-2-1-3-8-12-21(24)22-25)19-15-13-18(14-16-19)17-9-5-4-6-10-17/h4-6,9-10,13-16,25H,1-3,7-8,11-12H2,(H,22,24)
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n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Homo sapiens (human) HDAC8

Citation and Details

Article DOI: 10.1007/s00044-011-9571-y
BindingDB Entry DOI: 10.7270/Q2KH0R79
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM29589
PNG
(Faridak | LBH-589 | LBH-589B | Panobinostat | US10...)
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 5n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8 using AMC labeled AC-peptide as substrate incubated for 1 hr by fluorescence analysis

J Med Chem 59: 1455-70 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01342
BindingDB Entry DOI: 10.7270/Q2T155H3
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50132484
PNG
(CHEMBL3633769)
Show SMILES COc1cc2ncnc(Nc3ccc(Cl)cc3Cl)c2cc1OCCCCCC(=O)NO
Show InChI InChI=1S/C21H22Cl2N4O4/c1-30-18-11-17-14(10-19(18)31-8-4-2-3-5-20(28)27-29)21(25-12-24-17)26-16-7-6-13(22)9-15(16)23/h6-7,9-12,29H,2-5,8H2,1H3,(H,27,28)(H,24,25,26)
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n/an/a 5.20n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against metabotropic glutamate receptor 5 (mGluR5)

Bioorg Med Chem Lett 25: 5137-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.006
BindingDB Entry DOI: 10.7270/Q2CN75QQ
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 5.5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant HDAC8 expressed in baculovirus infected insect S9 cells using Ac-Leu-GlyLys(Tfa)-AMC as substrate after 3...

J Med Chem 58: 4325-38 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00317
BindingDB Entry DOI: 10.7270/Q2057HP5
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histone deacetylase 8


(Homo sapiens (Human))		BDBM581349
PNG
(US11505523, Compound 22b)
Show SMILES COc1ccc(\C=C\C(=O)NO)c(c1)-c1ccc(Br)cc1
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n/an/a 5.70n/an/an/an/an/an/a


TBA

Assay Description
Further provided herein are methods of inhibiting HDAC8 mediated deacetylation of p53. In one aspect, the method includes contacting HDAC8 with a HDA...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2DV1PRG
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50602204
PNG
(CHEMBL5195676)
Show SMILES CCCCCCNNC(=O)c1cnc(nc1)N1CCN(Cc2c[nH]c3ccccc23)CC1
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n/an/a 5.90n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01132
BindingDB Entry DOI: 10.7270/Q2959NMG
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50486589
PNG
(CHEMBL2235657)
Show SMILES ONC(=O)CCCCCC\C=C\c1ccc2ccccc2c1
Show InChI InChI=1S/C19H23NO2/c21-19(20-22)12-6-4-2-1-3-5-9-16-13-14-17-10-7-8-11-18(17)15-16/h5,7-11,13-15,22H,1-4,6,12H2,(H,20,21)/b9-5+
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n/an/a 6n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Homo sapiens (human) HDAC8

Citation and Details

Article DOI: 10.1007/s00044-011-9571-y
BindingDB Entry DOI: 10.7270/Q2KH0R79
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50044636
PNG
(CHEMBL3309297)
Show SMILES CC1(C)CC(=O)Nc2ccc(cc12)C(=O)NC[C@H]1CC[C@@H](CC1)\C=C\C(=O)NO |r,wU:17.18,wD:20.25,(21.24,-20.14,;22.02,-21.48,;22.78,-20.14,;23.36,-22.25,;23.36,-23.79,;24.69,-24.56,;22.02,-24.56,;20.69,-23.79,;19.36,-24.56,;18.02,-23.79,;18.02,-22.25,;19.36,-21.48,;20.69,-22.25,;16.7,-21.48,;16.7,-19.94,;15.36,-22.25,;14.02,-21.48,;12.69,-22.25,;12.69,-23.8,;11.35,-24.56,;10.01,-23.79,;10.02,-22.25,;11.35,-21.48,;8.67,-24.55,;7.34,-23.78,;6.01,-24.54,;6,-26.08,;4.68,-23.76,;3.34,-24.53,)|
Show InChI InChI=1S/C22H29N3O4/c1-22(2)12-20(27)24-18-9-8-16(11-17(18)22)21(28)23-13-15-5-3-14(4-6-15)7-10-19(26)25-29/h7-11,14-15,29H,3-6,12-13H2,1-2H3,(H,23,28)(H,24,27)(H,25,26)/b10-7+/t14-,15-
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n/an/a 6n/an/an/an/an/an/a



Nippon Pharmaceutical Chemicals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8 pre-incubated for 30 mins before substrate addition and measured after 30 mins by HDAC-Glo I/II assay

Bioorg Med Chem 22: 3720-31 (2014)


Article DOI: 10.1016/j.bmc.2014.05.001
BindingDB Entry DOI: 10.7270/Q24T6M0V
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50397360
PNG
(CHEMBL2170177 | US10188756, Compound CN110)
Show SMILES COc1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1
Show InChI InChI=1S/C17H16N2O3/c1-22-15-6-2-12(3-7-15)11-19-9-8-13-4-5-14(10-16(13)19)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20)
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n/an/a 6.60n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC8 (unknown origin) expressed in Escherichia coli using fluor de Lys(R) as substrate pretreated for 5 mins followed by s...

ACS Med Chem Lett 8: 824-829 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00126
BindingDB Entry DOI: 10.7270/Q2DR2Z42
More data for this
Ligand-Target Pair
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