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Compile Data Set for Download or QSAR

Found 225 hits with Last Name = 'zeyen' and Initial = 'p'   
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))
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 3


(Homo sapiens (Human))
BDBM50510962
PNG
(CHEMBL4454646)
Show SMILES Cc1noc(C)c1-c1ccc2n(CCCCCCC(=O)NO)cc(Cc3ccc(F)cc3)c2c1
Show InChI InChI=1S/C27H30FN3O3/c1-18-27(19(2)34-30-18)21-10-13-25-24(16-21)22(15-20-8-11-23(28)12-9-20)17-31(25)14-6-4-3-5-7-26(32)29-33/h8-13,16-17,33H,3-7,14-15H2,1-2H3,(H,29,32)
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n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC3 (unknown origin)


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 6


(Homo sapiens (Human))
BDBM50252396
PNG
(CHEMBL4077645)
Show SMILES ONC(=O)c1ccc(CC(=O)NC2=CC(=O)c3ccccc3C2=O)cc1 |t:12|
Show InChI InChI=1S/C19H14N2O5/c22-16-10-15(18(24)14-4-2-1-3-13(14)16)20-17(23)9-11-5-7-12(8-6-11)19(25)21-26/h1-8,10,26H,9H2,(H,20,23)(H,21,25)
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n/an/a 6n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human HDAC6 using Z-(Ac)Lys-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))
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 10n/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.2021.113745
BindingDB Entry DOI: 10.7270/Q2QJ7N3H
More data for this
Ligand-Target Pair
Polyamine deacetylase HDAC10


(Danio rerio)
BDBM50596817
PNG
(CHEMBL5184156)
Show SMILES ONC(=O)\C=C\C1CCN(CCc2ccccc2)CC1
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114272
BindingDB Entry DOI: 10.7270/Q2GM8CB7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50538729
PNG
(CHEMBL4649617)
Show SMILES ONC(=O)c1ccc(NCc2csc3ccccc23)cc1
Show InChI InChI=1S/C16H14N2O2S/c19-16(18-20)11-5-7-13(8-6-11)17-9-12-10-21-15-4-2-1-3-14(12)15/h1-8,10,17,20H,9H2,(H,18,19)
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TBA

Assay Description
Inhibition of recombinant human HDAC6 using Z-(Ac)Lys-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 6


(Homo sapiens (Human))
BDBM50578967
PNG
(CHEMBL4852163)
Show SMILES CCCOc1ccc(cc1C(=O)Nc1cc(ccc1C)C(=O)NO)C(C)=O
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TBA

Assay Description
Inhibition of recombinant human HDAC6 using ZMAL as substrate incubated for 90 mins by fluorescence based micro plate assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113745
BindingDB Entry DOI: 10.7270/Q2QJ7N3H
More data for this
Ligand-Target Pair
Polyamine deacetylase HDAC10


(Danio rerio)
BDBM50596819
PNG
(CHEMBL5173958)
Show SMILES ONC(=O)\C=C\C1CCN(Cc2cccc3ccccc23)CC1
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114272
BindingDB Entry DOI: 10.7270/Q2GM8CB7
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50578975
PNG
(CHEMBL4870316)
Show SMILES COc1ccc(cc1NC(=O)c1cc(ccc1OC)C(=O)NO)C(C)=O
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TBA

Assay Description
Inhibition of recombinant human HDAC6 using ZMAL as substrate incubated for 90 mins by fluorescence based micro plate assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113745
BindingDB Entry DOI: 10.7270/Q2QJ7N3H
More data for this
Ligand-Target Pair
Polyamine deacetylase HDAC10


(Danio rerio)
BDBM50596815
PNG
(CHEMBL5208990)
Show SMILES ONC(=O)c1ccc(CNCc2ccsc2)cc1
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114272
BindingDB Entry DOI: 10.7270/Q2GM8CB7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50164532
PNG
(CHEMBL3797516)
Show SMILES COc1ccc(cc1OCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C15H15NO4/c1-19-13-8-7-12(15(17)16-18)9-14(13)20-10-11-5-3-2-4-6-11/h2-9,18H,10H2,1H3,(H,16,17)
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n/an/a 27n/an/an/an/an/an/a



Martin-Luther University of Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length C-terminal His-tagged HDAC8 expressed in Escherichia coli BL21(DE3) using fluor de Lys(R) as substrate af...


J Med Chem 60: 10188-10204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01447
BindingDB Entry DOI: 10.7270/Q2DZ0BQJ
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50246866
PNG
(CHEMBL4078458 | US11505523, Compound 22d)
Show SMILES COc1ccc(\C=C\C(=O)NO)c(c1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H19NO3/c1-26-20-13-11-19(12-14-22(24)23-25)21(15-20)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-15,25H,1H3,(H,23,24)/b14-12+
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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))
BDBM50246866
PNG
(CHEMBL4078458 | US11505523, Compound 22d)
Show SMILES COc1ccc(\C=C\C(=O)NO)c(c1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H19NO3/c1-26-20-13-11-19(12-14-22(24)23-25)21(15-20)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-15,25H,1H3,(H,23,24)/b14-12+
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Martin-Luther University of Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8 (1 to 377 residues) expressed in Escherichia coli BL21(DE3) using Boc-Lys(TFA)-AMC as substrate preincubated for 5 mins fol...


J Med Chem 60: 10188-10204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01447
BindingDB Entry DOI: 10.7270/Q2DZ0BQJ
More data for this
Ligand-Target Pair
Polyamine deacetylase HDAC10


(Danio rerio)
BDBM50596818
PNG
(CHEMBL5207713)
Show SMILES ONC(=O)\C=C\C1CCN(CCc2c[nH]c3ccccc23)CC1
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114272
BindingDB Entry DOI: 10.7270/Q2GM8CB7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50260597
PNG
(CHEMBL4079901)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCCCC(=O)NO)c(C)c1
Show InChI InChI=1S/C23H27N3O6/c1-13-9-15(10-14(2)21(13)32-8-6-5-7-19(27)26-29)22-24-17-11-16(30-3)12-18(31-4)20(17)23(28)25-22/h9-12,29H,5-8H2,1-4H3,(H,26,27)(H,24,25,28)
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TBA

Assay Description
Inhibition of recombinant human HDAC1 using Z-(Ac)Lys-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
Polyamine deacetylase HDAC10


(Danio rerio)
BDBM50596824
PNG
(CHEMBL5188463)
Show SMILES ONC(=O)\C=C\C1CCN(Cc2ccc(Cl)cc2)CC1
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114272
BindingDB Entry DOI: 10.7270/Q2GM8CB7
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM19410
PNG
(CHEMBL27759 | MS-275 | US11377423, MS-275 | US1167...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1
Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114272
BindingDB Entry DOI: 10.7270/Q2GM8CB7
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50246847
PNG
(CHEMBL4089635)
Show SMILES Cc1ccc(cc1NCc1ccc(Cl)cc1Cl)C(=O)NO
Show InChI InChI=1S/C15H14Cl2N2O2/c1-9-2-3-10(15(20)19-21)6-14(9)18-8-11-4-5-12(16)7-13(11)17/h2-7,18,21H,8H2,1H3,(H,19,20)
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Martin-Luther University of Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length C-terminal His-tagged HDAC8 expressed in Escherichia coli BL21(DE3) using fluor de Lys(R) as substrate af...


J Med Chem 60: 10188-10204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01447
BindingDB Entry DOI: 10.7270/Q2DZ0BQJ
More data for this
Ligand-Target Pair
Polyamine deacetylase HDAC10


(Danio rerio)
BDBM50596813
PNG
(CHEMBL5181507)
Show SMILES ONC(=O)c1ccc(CNCc2ccccc2)cc1
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114272
BindingDB Entry DOI: 10.7270/Q2GM8CB7
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50246874
PNG
(CHEMBL4095643)
Show SMILES COc1ccc(cc1C(=O)Nc1ccc(Cl)cc1)C(=O)NO
Show InChI InChI=1S/C15H13ClN2O4/c1-22-13-7-2-9(14(19)18-21)8-12(13)15(20)17-11-5-3-10(16)4-6-11/h2-8,21H,1H3,(H,17,20)(H,18,19)
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Martin-Luther University of Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length C-terminal His-tagged HDAC8 expressed in Escherichia coli BL21(DE3) using fluor de Lys(R) as substrate af...


J Med Chem 60: 10188-10204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01447
BindingDB Entry DOI: 10.7270/Q2DZ0BQJ
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50246874
PNG
(CHEMBL4095643)
Show SMILES COc1ccc(cc1C(=O)Nc1ccc(Cl)cc1)C(=O)NO
Show InChI InChI=1S/C15H13ClN2O4/c1-22-13-7-2-9(14(19)18-21)8-12(13)15(20)17-11-5-3-10(16)4-6-11/h2-8,21H,1H3,(H,17,20)(H,18,19)
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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.2021.113745
BindingDB Entry DOI: 10.7270/Q2QJ7N3H
More data for this
Ligand-Target Pair
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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TBA

Assay Description
Inhibition of recombinant human HDAC6 using ZMAL as substrate incubated for 90 mins by fluorescence based micro plate assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113745
BindingDB Entry DOI: 10.7270/Q2QJ7N3H
More data for this
Ligand-Target Pair
Polyamine deacetylase HDAC10


(Danio rerio)
BDBM50596816
PNG
(CHEMBL5203383)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)NO)CC1
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114272
BindingDB Entry DOI: 10.7270/Q2GM8CB7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50458430
PNG
(CHEMBL4206936)
Show SMILES ONC(=O)c1cccc(c1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C13H12N2O4S/c16-13(14-17)10-5-4-8-12(9-10)20(18,19)15-11-6-2-1-3-7-11/h1-9,15,17H,(H,14,16)
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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
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50559724
PNG
(CHEMBL3220922)
Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1ccc(NC(=O)CCCCCCC(=O)NO)cc1 |r|
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TBA

Assay Description
Inhibition of BRD4 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112338
BindingDB Entry DOI: 10.7270/Q2VD7363
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Polyamine deacetylase HDAC10


(Danio rerio)
BDBM50596823
PNG
(CHEMBL5201275)
Show SMILES Cn1cc(CN2CCC(CC2)\C=C\C(=O)NO)c2ccccc12
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114272
BindingDB Entry DOI: 10.7270/Q2GM8CB7
More data for this
Ligand-Target Pair
Polyamine deacetylase HDAC10


(Danio rerio)
BDBM50596820
PNG
(CHEMBL5176967)
Show SMILES ONC(=O)\C=C\C1CCN(Cc2cccc(Cl)c2)CC1
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114272
BindingDB Entry DOI: 10.7270/Q2GM8CB7
More data for this
Ligand-Target Pair
Polyamine deacetylase HDAC10


(Danio rerio)
BDBM50596822
PNG
(CHEMBL5184762)
Show SMILES ONC(=O)\C=C\C1CCN(Cc2csc3ccccc23)CC1
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114272
BindingDB Entry DOI: 10.7270/Q2GM8CB7
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50564920
PNG
(CHEMBL4789607)
Show SMILES COc1ccc(cc1C(=O)Nc1ccc2n(C)c(=O)c(C)cc2c1)C(=O)NO
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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))
BDBM50246846
PNG
(CHEMBL4105068)
Show SMILES COc1ccc(cc1NCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C15H16N2O3/c1-20-14-8-7-12(15(18)17-19)9-13(14)16-10-11-5-3-2-4-6-11/h2-9,16,19H,10H2,1H3,(H,17,18)
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Martin-Luther University of Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length C-terminal His-tagged HDAC8 expressed in Escherichia coli BL21(DE3) using fluor de Lys(R) as substrate af...


J Med Chem 60: 10188-10204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01447
BindingDB Entry DOI: 10.7270/Q2DZ0BQJ
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50246846
PNG
(CHEMBL4105068)
Show SMILES COc1ccc(cc1NCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C15H16N2O3/c1-20-14-8-7-12(15(18)17-19)9-13(14)16-10-11-5-3-2-4-6-11/h2-9,16,19H,10H2,1H3,(H,17,18)
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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))
BDBM50578980
PNG
(CHEMBL4868510)
Show SMILES CCOc1ccc(cc1NC(=O)c1cc(ccc1C)C(=O)NO)C(C)=O
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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.2021.113745
BindingDB Entry DOI: 10.7270/Q2QJ7N3H
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50246848
PNG
(CHEMBL4061831)
Show SMILES ONC(=O)c1ccc(F)c(NCc2ccccc2)c1
Show InChI InChI=1S/C14H13FN2O2/c15-12-7-6-11(14(18)17-19)8-13(12)16-9-10-4-2-1-3-5-10/h1-8,16,19H,9H2,(H,17,18)
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Martin-Luther University of Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length C-terminal His-tagged HDAC8 expressed in Escherichia coli BL21(DE3) using fluor de Lys(R) as substrate af...


J Med Chem 60: 10188-10204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01447
BindingDB Entry DOI: 10.7270/Q2DZ0BQJ
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50578979
PNG
(CHEMBL4846424)
Show SMILES COc1ccc(cc1NC(=O)c1cc(ccc1C)C(=O)NO)C(C)=O
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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.2021.113745
BindingDB Entry DOI: 10.7270/Q2QJ7N3H
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50578977
PNG
(CHEMBL4866890)
Show SMILES COc1ccc(cc1NC(=O)c1cc(ccc1Cl)C(=O)NO)C(C)=O
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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.2021.113745
BindingDB Entry DOI: 10.7270/Q2QJ7N3H
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 92n/an/an/an/an/an/a



Martin-Luther University of Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length C-terminal His-tagged HDAC8 expressed in Escherichia coli BL21(DE3) using fluor de Lys(R) as substrate af...


J Med Chem 60: 10188-10204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01447
BindingDB Entry DOI: 10.7270/Q2DZ0BQJ
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Schistosoma mansoni)
BDBM50578957
PNG
(CHEMBL4855490)
Show SMILES COc1ccc(cc1NC(=O)c1ccc(cc1Cl)-c1ccccc1)C(=O)NO
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TBA

Assay Description
Inhibition of Schistosoma mansoni HDAC8 using Fluor de Lys as substrate incubated for 90 mins by fluorescence method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113745
BindingDB Entry DOI: 10.7270/Q2QJ7N3H
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50578984
PNG
(CHEMBL4865911)
Show SMILES COc1ccc(cc1C(=O)Nc1ccc2sccc2c1)C(=O)NO
PDB
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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.2021.113745
BindingDB Entry DOI: 10.7270/Q2QJ7N3H
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Schistosoma mansoni)
BDBM50578956
PNG
(CHEMBL4853162)
Show SMILES CSc1ccc(cc1NC(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO
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TBA

Assay Description
Inhibition of Schistosoma mansoni HDAC8 using Fluor de Lys as substrate incubated for 90 mins by fluorescence method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113745
BindingDB Entry DOI: 10.7270/Q2QJ7N3H
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Schistosoma mansoni)
BDBM50578966
PNG
(CHEMBL4867041)
Show SMILES CCOc1ccc(cc1NC(=O)c1ccc(Cl)cc1Cl)C(=O)NO
PDB

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n/an/a 100n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Schistosoma mansoni HDAC8 using Fluor de Lys as substrate incubated for 90 mins by fluorescence method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113745
BindingDB Entry DOI: 10.7270/Q2QJ7N3H
More data for this
Ligand-Target Pair
Polyamine deacetylase HDAC10


(Danio rerio)
BDBM50596814
PNG
(CHEMBL5208700)
Show SMILES ONC(=O)c1ccc(CNCc2cccs2)cc1
PDB
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114272
BindingDB Entry DOI: 10.7270/Q2GM8CB7
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Schistosoma mansoni)
BDBM50578958
PNG
(CHEMBL4849600)
Show SMILES ONC(=O)c1ccc(Cl)c(NC(=O)c2ccc(cc2Cl)-c2ccccc2)c1
PDB

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TBA

Assay Description
Inhibition of Schistosoma mansoni HDAC8 using Fluor de Lys as substrate incubated for 90 mins by fluorescence method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113745
BindingDB Entry DOI: 10.7270/Q2QJ7N3H
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50246864
PNG
(CHEMBL4065863)
Show SMILES Cc1ccc(cc1C(=O)Nc1ccc(Cl)cc1)C(=O)NO
Show InChI InChI=1S/C15H13ClN2O3/c1-9-2-3-10(14(19)18-21)8-13(9)15(20)17-12-6-4-11(16)5-7-12/h2-8,21H,1H3,(H,17,20)(H,18,19)
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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.2021.113745
BindingDB Entry DOI: 10.7270/Q2QJ7N3H
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50578978
PNG
(CHEMBL4870162)
Show SMILES CCOc1ccc(cc1NC(=O)c1cc(ccc1Cl)C(=O)NO)C(C)=O
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TBA

Assay Description
Inhibition of recombinant human HDAC6 using ZMAL as substrate incubated for 90 mins by fluorescence based micro plate assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113745
BindingDB Entry DOI: 10.7270/Q2QJ7N3H
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Schistosoma mansoni)
BDBM50578967
PNG
(CHEMBL4852163)
Show SMILES CCCOc1ccc(cc1C(=O)Nc1cc(ccc1C)C(=O)NO)C(C)=O
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TBA

Assay Description
Inhibition of Schistosoma mansoni HDAC8 using Fluor de Lys as substrate incubated for 90 mins by fluorescence method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113745
BindingDB Entry DOI: 10.7270/Q2QJ7N3H
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50564924
PNG
(CHEMBL4790363)
Show SMILES Cc1cc2cc(NC(=O)c3cc(ccc3Cl)C(=O)NO)ccc2n(C)c1=O
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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))
BDBM50246864
PNG
(CHEMBL4065863)
Show SMILES Cc1ccc(cc1C(=O)Nc1ccc(Cl)cc1)C(=O)NO
Show InChI InChI=1S/C15H13ClN2O3/c1-9-2-3-10(14(19)18-21)8-13(9)15(20)17-12-6-4-11(16)5-7-12/h2-8,21H,1H3,(H,17,20)(H,18,19)
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Martin-Luther University of Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length C-terminal His-tagged HDAC8 expressed in Escherichia coli BL21(DE3) using fluor de Lys(R) as substrate af...


J Med Chem 60: 10188-10204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01447
BindingDB Entry DOI: 10.7270/Q2DZ0BQJ
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50246861
PNG
(CHEMBL4065500)
Show SMILES Cc1ccc(cc1NCc1ccc2ccccc2c1)C(=O)NO
Show InChI InChI=1S/C19H18N2O2/c1-13-6-8-17(19(22)21-23)11-18(13)20-12-14-7-9-15-4-2-3-5-16(15)10-14/h2-11,20,23H,12H2,1H3,(H,21,22)
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Martin-Luther University of Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length C-terminal His-tagged HDAC8 expressed in Escherichia coli BL21(DE3) using fluor de Lys(R) as substrate af...


J Med Chem 60: 10188-10204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01447
BindingDB Entry DOI: 10.7270/Q2DZ0BQJ
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50246862
PNG
(CHEMBL2381520)
Show SMILES ONC(=O)c1cccc(c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C14H12N2O3/c17-13(15-12-7-2-1-3-8-12)10-5-4-6-11(9-10)14(18)16-19/h1-9,19H,(H,15,17)(H,16,18)
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Martin-Luther University of Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length C-terminal His-tagged HDAC8 expressed in Escherichia coli BL21(DE3) using fluor de Lys(R) as substrate af...


J Med Chem 60: 10188-10204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01447
BindingDB Entry DOI: 10.7270/Q2DZ0BQJ
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50246865
PNG
(CHEMBL4077880)
Show SMILES COc1ccc(cc1OCc1ccccc1Cl)C(=O)NO
Show InChI InChI=1S/C15H14ClNO4/c1-20-13-7-6-10(15(18)17-19)8-14(13)21-9-11-4-2-3-5-12(11)16/h2-8,19H,9H2,1H3,(H,17,18)
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Martin-Luther University of Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length C-terminal His-tagged HDAC8 expressed in Escherichia coli BL21(DE3) using fluor de Lys(R) as substrate af...


J Med Chem 60: 10188-10204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01447
BindingDB Entry DOI: 10.7270/Q2DZ0BQJ
More data for this
Ligand-Target Pair
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