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Compile Data Set for Download or QSAR

Found 257 hits of ic50 data for polymerid = 50007090   
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


(Schistosoma mansoni)
BDBM50164641
PNG
(CHEMBL3797843)
Show SMILES ONC(=O)c1ccc(Cl)c(NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C14H11ClN2O3/c15-11-7-6-10(14(19)17-20)8-12(11)16-13(18)9-4-2-1-3-5-9/h1-8,20H,(H,16,18)(H,17,19)
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n/an/a 67n/an/an/an/an/an/a



Martin-Luther University of Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of recombinant Schistosoma mansoni HDAC8 expressed in Escherichia coli using Fluor de Lys as substrate preincubated for 90 mins followed b...


J Med Chem 59: 2423-35 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01478
BindingDB Entry DOI: 10.7270/Q28054HC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 8


(Schistosoma mansoni)
BDBM50164641
PNG
(CHEMBL3797843)
Show SMILES ONC(=O)c1ccc(Cl)c(NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C14H11ClN2O3/c15-11-7-6-10(14(19)17-20)8-12(11)16-13(18)9-4-2-1-3-5-9/h1-8,20H,(H,16,18)(H,17,19)
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n/an/a 68n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni KDAC8 using (FAM)-labeled peptide as substrate after 60 mins by microfluidic assay


Bioorg Med Chem 25: 2105-2132 (2017)


Article DOI: 10.1016/j.bmc.2017.02.020
BindingDB Entry DOI: 10.7270/Q2PG1V0C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 8


(Schistosoma mansoni)
BDBM50164518
PNG
(CHEMBL3800394)
Show SMILES COc1ccc(cc1NC(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO
Show InChI InChI=1S/C21H18N2O4/c1-27-19-12-11-17(21(25)23-26)13-18(19)22-20(24)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-13,26H,1H3,(H,22,24)(H,23,25)
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n/an/a 75n/an/an/an/an/an/a



Martin-Luther University of Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of recombinant Schistosoma mansoni HDAC8 expressed in Escherichia coli using Fluor de Lys as substrate preincubated for 90 mins followed b...


J Med Chem 59: 2423-35 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01478
BindingDB Entry DOI: 10.7270/Q28054HC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 8


(Schistosoma mansoni)
BDBM50164518
PNG
(CHEMBL3800394)
Show SMILES COc1ccc(cc1NC(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO
Show InChI InChI=1S/C21H18N2O4/c1-27-19-12-11-17(21(25)23-26)13-18(19)22-20(24)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-13,26H,1H3,(H,22,24)(H,23,25)
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n/an/a 76n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni KDAC8 using (FAM)-labeled peptide as substrate after 60 mins by microfluidic assay


Bioorg Med Chem 25: 2105-2132 (2017)


Article DOI: 10.1016/j.bmc.2017.02.020
BindingDB Entry DOI: 10.7270/Q2PG1V0C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 8


(Schistosoma mansoni)
BDBM50164531
PNG
(CHEMBL3799246)
Show SMILES CCOc1ccc(cc1NC(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO
Show InChI InChI=1S/C22H20N2O4/c1-2-28-20-13-12-18(22(26)24-27)14-19(20)23-21(25)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-14,27H,2H2,1H3,(H,23,25)(H,24,26)
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n/an/a 91n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni KDAC8 using (FAM)-labeled peptide as substrate after 60 mins by microfluidic assay


Bioorg Med Chem 25: 2105-2132 (2017)


Article DOI: 10.1016/j.bmc.2017.02.020
BindingDB Entry DOI: 10.7270/Q2PG1V0C
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Schistosoma mansoni)
BDBM50164531
PNG
(CHEMBL3799246)
Show SMILES CCOc1ccc(cc1NC(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO
Show InChI InChI=1S/C22H20N2O4/c1-2-28-20-13-12-18(22(26)24-27)14-19(20)23-21(25)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-14,27H,2H2,1H3,(H,23,25)(H,24,26)
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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 Schistosoma mansoni HDAC8 expressed in Escherichia coli using Fluor de Lys as substrate preincubated for 90 mins followed b...


J Med Chem 59: 2423-35 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01478
BindingDB Entry DOI: 10.7270/Q28054HC
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Schistosoma mansoni)
BDBM50164517
PNG
(CHEMBL3798183)
Show SMILES Cc1ccc(cc1NC(=O)c1ccc2ccccc2n1)C(=O)NO
Show InChI InChI=1S/C18H15N3O3/c1-11-6-7-13(17(22)21-24)10-16(11)20-18(23)15-9-8-12-4-2-3-5-14(12)19-15/h2-10,24H,1H3,(H,20,23)(H,21,22)
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n/an/a 95n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni KDAC8 using (FAM)-labeled peptide as substrate after 60 mins by microfluidic assay


Bioorg Med Chem 25: 2105-2132 (2017)


Article DOI: 10.1016/j.bmc.2017.02.020
BindingDB Entry DOI: 10.7270/Q2PG1V0C
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Schistosoma mansoni)
BDBM50399672
PNG
(CHEMBL2178342)
Show SMILES ONC(=O)c1cccc(c1)-c1cn(CSc2ccccc2)nn1
Show InChI InChI=1S/C16H14N4O2S/c21-16(18-22)13-6-4-5-12(9-13)15-10-20(19-17-15)11-23-14-7-2-1-3-8-14/h1-10,22H,11H2,(H,18,21)
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n/an/a 95n/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni His-tagged HDAC8 expressed in Escherichia coli BL21 (DE3) cells using Fluor de Lys (R)-HDAC8 as substrate by fluoro...


J Med Chem 61: 10000-10016 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01087
BindingDB Entry DOI: 10.7270/Q2VM4FT7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 8


(Schistosoma mansoni)
BDBM50164517
PNG
(CHEMBL3798183)
Show SMILES Cc1ccc(cc1NC(=O)c1ccc2ccccc2n1)C(=O)NO
Show InChI InChI=1S/C18H15N3O3/c1-11-6-7-13(17(22)21-24)10-16(11)20-18(23)15-9-8-12-4-2-3-5-14(12)19-15/h2-10,24H,1H3,(H,20,23)(H,21,22)
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n/an/a 96n/an/an/an/an/an/a



Martin-Luther University of Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of recombinant Schistosoma mansoni HDAC8 expressed in Escherichia coli using Fluor de Lys as substrate preincubated for 90 mins followed b...


J Med Chem 59: 2423-35 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01478
BindingDB Entry DOI: 10.7270/Q28054HC
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Schistosoma mansoni)
BDBM50450625
PNG
(CHEMBL4160522)
Show SMILES ONC(=O)c1ccc(Cl)c(NC(=O)c2cccc3ccsc23)c1
Show InChI InChI=1S/C16H11ClN2O3S/c17-12-5-4-10(15(20)19-22)8-13(12)18-16(21)11-3-1-2-9-6-7-23-14(9)11/h1-8,22H,(H,18,21)(H,19,20)
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n/an/a 97n/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni His-tagged HDAC8 expressed in Escherichia coli BL21 (DE3) cells using Fluor de Lys (R)-HDAC8 as substrate by fluoro...


J Med Chem 61: 10000-10016 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01087
BindingDB Entry DOI: 10.7270/Q2VM4FT7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
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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)
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


(Schistosoma mansoni)
BDBM50164519
PNG
(CHEMBL3799297)
Show SMILES COc1ccc(cc1)C(=O)Nc1cc(ccc1OC)C(=O)NO
Show InChI InChI=1S/C16H16N2O5/c1-22-12-6-3-10(4-7-12)15(19)17-13-9-11(16(20)18-21)5-8-14(13)23-2/h3-9,21H,1-2H3,(H,17,19)(H,18,20)
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n/an/a 106n/an/an/an/an/an/a



Martin-Luther University of Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of recombinant Schistosoma mansoni HDAC8 expressed in Escherichia coli using Fluor de Lys as substrate preincubated for 90 mins followed b...


J Med Chem 59: 2423-35 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01478
BindingDB Entry DOI: 10.7270/Q28054HC
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Schistosoma mansoni)
BDBM50164519
PNG
(CHEMBL3799297)
Show SMILES COc1ccc(cc1)C(=O)Nc1cc(ccc1OC)C(=O)NO
Show InChI InChI=1S/C16H16N2O5/c1-22-12-6-3-10(4-7-12)15(19)17-13-9-11(16(20)18-21)5-8-14(13)23-2/h3-9,21H,1-2H3,(H,17,19)(H,18,20)
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n/an/a 107n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni KDAC8 using (FAM)-labeled peptide as substrate after 60 mins by microfluidic assay


Bioorg Med Chem 25: 2105-2132 (2017)


Article DOI: 10.1016/j.bmc.2017.02.020
BindingDB Entry DOI: 10.7270/Q2PG1V0C
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
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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)
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


(Schistosoma mansoni)
BDBM50164538
PNG
(CHEMBL3797597)
Show SMILES Cc1ccc(cc1NC(=O)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C15H14N2O3/c1-10-7-8-12(15(19)17-20)9-13(10)16-14(18)11-5-3-2-4-6-11/h2-9,20H,1H3,(H,16,18)(H,17,19)
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n/an/a 116n/an/an/an/an/an/a



Martin-Luther University of Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of recombinant Schistosoma mansoni HDAC8 expressed in Escherichia coli using Fluor de Lys as substrate preincubated for 90 mins followed b...


J Med Chem 59: 2423-35 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01478
BindingDB Entry DOI: 10.7270/Q28054HC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 8


(Schistosoma mansoni)
BDBM50164538
PNG
(CHEMBL3797597)
Show SMILES Cc1ccc(cc1NC(=O)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C15H14N2O3/c1-10-7-8-12(15(19)17-20)9-13(10)16-14(18)11-5-3-2-4-6-11/h2-9,20H,1H3,(H,16,18)(H,17,19)
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Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni KDAC8 using (FAM)-labeled peptide as substrate after 60 mins by microfluidic assay


Bioorg Med Chem 25: 2105-2132 (2017)


Article DOI: 10.1016/j.bmc.2017.02.020
BindingDB Entry DOI: 10.7270/Q2PG1V0C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 8


(Schistosoma mansoni)
BDBM50164522
PNG
(CHEMBL3797442)
Show SMILES COc1ccc(cc1NC(=O)c1ccc(Cl)cc1Cl)C(=O)NO
Show InChI InChI=1S/C15H12Cl2N2O4/c1-23-13-5-2-8(14(20)19-22)6-12(13)18-15(21)10-4-3-9(16)7-11(10)17/h2-7,22H,1H3,(H,18,21)(H,19,20)
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Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni KDAC8 using (FAM)-labeled peptide as substrate after 60 mins by microfluidic assay


Bioorg Med Chem 25: 2105-2132 (2017)


Article DOI: 10.1016/j.bmc.2017.02.020
BindingDB Entry DOI: 10.7270/Q2PG1V0C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 8


(Schistosoma mansoni)
BDBM50164522
PNG
(CHEMBL3797442)
Show SMILES COc1ccc(cc1NC(=O)c1ccc(Cl)cc1Cl)C(=O)NO
Show InChI InChI=1S/C15H12Cl2N2O4/c1-23-13-5-2-8(14(20)19-22)6-12(13)18-15(21)10-4-3-9(16)7-11(10)17/h2-7,22H,1H3,(H,18,21)(H,19,20)
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Martin-Luther University of Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of recombinant Schistosoma mansoni HDAC8 expressed in Escherichia coli using Fluor de Lys as substrate preincubated for 90 mins followed b...


J Med Chem 59: 2423-35 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01478
BindingDB Entry DOI: 10.7270/Q28054HC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 8


(Schistosoma mansoni)
BDBM50164515
PNG
(CHEMBL3798028)
Show SMILES CCOc1ccc(cc1NC(=O)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C16H16N2O4/c1-2-22-14-9-8-12(16(20)18-21)10-13(14)17-15(19)11-6-4-3-5-7-11/h3-10,21H,2H2,1H3,(H,17,19)(H,18,20)
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n/an/a 129n/an/an/an/an/an/a



Martin-Luther University of Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of recombinant Schistosoma mansoni HDAC8 expressed in Escherichia coli using Fluor de Lys as substrate preincubated for 90 mins followed b...


J Med Chem 59: 2423-35 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01478
BindingDB Entry DOI: 10.7270/Q28054HC
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Schistosoma mansoni)
BDBM50164515
PNG
(CHEMBL3798028)
Show SMILES CCOc1ccc(cc1NC(=O)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C16H16N2O4/c1-2-22-14-9-8-12(16(20)18-21)10-13(14)17-15(19)11-6-4-3-5-7-11/h3-10,21H,2H2,1H3,(H,17,19)(H,18,20)
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n/an/a 129n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni KDAC8 using (FAM)-labeled peptide as substrate after 60 mins by microfluidic assay


Bioorg Med Chem 25: 2105-2132 (2017)


Article DOI: 10.1016/j.bmc.2017.02.020
BindingDB Entry DOI: 10.7270/Q2PG1V0C
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Schistosoma mansoni)
BDBM50164514
PNG
(CHEMBL3799728)
Show SMILES ONC(=O)c1ccc(c(NC(=O)c2ccccc2)c1)C(F)(F)F
Show InChI InChI=1S/C15H11F3N2O3/c16-15(17,18)11-7-6-10(14(22)20-23)8-12(11)19-13(21)9-4-2-1-3-5-9/h1-8,23H,(H,19,21)(H,20,22)
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n/an/a 138n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni KDAC8 using (FAM)-labeled peptide as substrate after 60 mins by microfluidic assay


Bioorg Med Chem 25: 2105-2132 (2017)


Article DOI: 10.1016/j.bmc.2017.02.020
BindingDB Entry DOI: 10.7270/Q2PG1V0C
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Schistosoma mansoni)
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 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)
BDBM50164514
PNG
(CHEMBL3799728)
Show SMILES ONC(=O)c1ccc(c(NC(=O)c2ccccc2)c1)C(F)(F)F
Show InChI InChI=1S/C15H11F3N2O3/c16-15(17,18)11-7-6-10(14(22)20-23)8-12(11)19-13(21)9-4-2-1-3-5-9/h1-8,23H,(H,19,21)(H,20,22)
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n/an/a 140n/an/an/an/an/an/a



Martin-Luther University of Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of recombinant Schistosoma mansoni HDAC8 expressed in Escherichia coli using Fluor de Lys as substrate preincubated for 90 mins followed b...


J Med Chem 59: 2423-35 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01478
BindingDB Entry DOI: 10.7270/Q28054HC
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Schistosoma mansoni)
BDBM50164520
PNG
(CHEMBL3798503)
Show SMILES COc1ccc(cc1NC(=O)c1ccc(Cl)cc1)C(=O)NO
Show InChI InChI=1S/C15H13ClN2O4/c1-22-13-7-4-10(15(20)18-21)8-12(13)17-14(19)9-2-5-11(16)6-3-9/h2-8,21H,1H3,(H,17,19)(H,18,20)
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n/an/a 145n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni KDAC8 using (FAM)-labeled peptide as substrate after 60 mins by microfluidic assay


Bioorg Med Chem 25: 2105-2132 (2017)


Article DOI: 10.1016/j.bmc.2017.02.020
BindingDB Entry DOI: 10.7270/Q2PG1V0C
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Schistosoma mansoni)
BDBM50164520
PNG
(CHEMBL3798503)
Show SMILES COc1ccc(cc1NC(=O)c1ccc(Cl)cc1)C(=O)NO
Show InChI InChI=1S/C15H13ClN2O4/c1-22-13-7-4-10(15(20)18-21)8-12(13)17-14(19)9-2-5-11(16)6-3-9/h2-8,21H,1H3,(H,17,19)(H,18,20)
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n/an/a 146n/an/an/an/an/an/a



Martin-Luther University of Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of recombinant Schistosoma mansoni HDAC8 expressed in Escherichia coli using Fluor de Lys as substrate preincubated for 90 mins followed b...


J Med Chem 59: 2423-35 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01478
BindingDB Entry DOI: 10.7270/Q28054HC
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Schistosoma mansoni)
BDBM50164525
PNG
(CHEMBL3797455)
Show SMILES COc1ccc(cc1)C(=O)Nc1cc(ccc1Cl)C(=O)NO
Show InChI InChI=1S/C15H13ClN2O4/c1-22-11-5-2-9(3-6-11)14(19)17-13-8-10(15(20)18-21)4-7-12(13)16/h2-8,21H,1H3,(H,17,19)(H,18,20)
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n/an/a 147n/an/an/an/an/an/a



Martin-Luther University of Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of recombinant Schistosoma mansoni HDAC8 expressed in Escherichia coli using Fluor de Lys as substrate preincubated for 90 mins followed b...


J Med Chem 59: 2423-35 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01478
BindingDB Entry DOI: 10.7270/Q28054HC
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Schistosoma mansoni)
BDBM50164525
PNG
(CHEMBL3797455)
Show SMILES COc1ccc(cc1)C(=O)Nc1cc(ccc1Cl)C(=O)NO
Show InChI InChI=1S/C15H13ClN2O4/c1-22-11-5-2-9(3-6-11)14(19)17-13-8-10(15(20)18-21)4-7-12(13)16/h2-8,21H,1H3,(H,17,19)(H,18,20)
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n/an/a 148n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni KDAC8 using (FAM)-labeled peptide as substrate after 60 mins by microfluidic assay


Bioorg Med Chem 25: 2105-2132 (2017)


Article DOI: 10.1016/j.bmc.2017.02.020
BindingDB Entry DOI: 10.7270/Q2PG1V0C
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Schistosoma mansoni)
BDBM50578975
PNG
(CHEMBL4870316)
Show SMILES COc1ccc(cc1NC(=O)c1cc(ccc1OC)C(=O)NO)C(C)=O
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n/an/a 150n/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
Histone deacetylase 8


(Schistosoma mansoni)
BDBM50164513
PNG
(CHEMBL3800411)
Show SMILES ONC(=O)c1ccc(Br)c(NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C14H11BrN2O3/c15-11-7-6-10(14(19)17-20)8-12(11)16-13(18)9-4-2-1-3-5-9/h1-8,20H,(H,16,18)(H,17,19)
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n/an/a 150n/an/an/an/an/an/a



Martin-Luther University of Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of recombinant Schistosoma mansoni HDAC8 expressed in Escherichia coli using Fluor de Lys as substrate preincubated for 90 mins followed b...


J Med Chem 59: 2423-35 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01478
BindingDB Entry DOI: 10.7270/Q28054HC
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Schistosoma mansoni)
BDBM50164513
PNG
(CHEMBL3800411)
Show SMILES ONC(=O)c1ccc(Br)c(NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C14H11BrN2O3/c15-11-7-6-10(14(19)17-20)8-12(11)16-13(18)9-4-2-1-3-5-9/h1-8,20H,(H,16,18)(H,17,19)
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n/an/a 151n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni KDAC8 using (FAM)-labeled peptide as substrate after 60 mins by microfluidic assay


Bioorg Med Chem 25: 2105-2132 (2017)


Article DOI: 10.1016/j.bmc.2017.02.020
BindingDB Entry DOI: 10.7270/Q2PG1V0C
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Schistosoma mansoni)
BDBM50578974
PNG
(CHEMBL4870946)
Show SMILES CCOc1ccc(cc1NC(=O)c1cccc(c1)C(=O)NO)C(C)=O
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n/an/a 160n/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
Histone deacetylase 8


(Schistosoma mansoni)
BDBM50578981
PNG
(CHEMBL4850958)
Show SMILES COc1ccc(cc1C(=O)Nc1cccc(Cl)c1)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)
BDBM50164597
PNG
(CHEMBL3798925)
Show SMILES ONC(=O)c1ccc(F)c(NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C14H11FN2O3/c15-11-7-6-10(14(19)17-20)8-12(11)16-13(18)9-4-2-1-3-5-9/h1-8,20H,(H,16,18)(H,17,19)
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n/an/a 178n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni KDAC8 using (FAM)-labeled peptide as substrate after 60 mins by microfluidic assay


Bioorg Med Chem 25: 2105-2132 (2017)


Article DOI: 10.1016/j.bmc.2017.02.020
BindingDB Entry DOI: 10.7270/Q2PG1V0C
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Schistosoma mansoni)
BDBM50164597
PNG
(CHEMBL3798925)
Show SMILES ONC(=O)c1ccc(F)c(NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C14H11FN2O3/c15-11-7-6-10(14(19)17-20)8-12(11)16-13(18)9-4-2-1-3-5-9/h1-8,20H,(H,16,18)(H,17,19)
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n/an/a 178n/an/an/an/an/an/a



Martin-Luther University of Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of recombinant Schistosoma mansoni HDAC8 expressed in Escherichia coli using Fluor de Lys as substrate preincubated for 90 mins followed b...


J Med Chem 59: 2423-35 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01478
BindingDB Entry DOI: 10.7270/Q28054HC
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Schistosoma mansoni)
BDBM50578983
PNG
(CHEMBL4874213)
Show SMILES COc1ccc(cc1C(=O)Nc1ccc(Cl)cc1Cl)C(=O)NO
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n/an/a 180n/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
Histone deacetylase 8


(Schistosoma mansoni)
BDBM50567345
PNG
(CHEMBL4872913)
Show SMILES ONC(=O)\C=C\c1ccccc1Sc1ccc(Cl)cc1
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n/an/a 180n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1039/d0md00062k
BindingDB Entry DOI: 10.7270/Q2WM1J6K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 8


(Schistosoma mansoni)
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 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)
BDBM50164524
PNG
(CHEMBL3799265)
Show SMILES COc1ccc(cc1NC(=O)Cc1ccccc1)C(=O)NO
Show InChI InChI=1S/C16H16N2O4/c1-22-14-8-7-12(16(20)18-21)10-13(14)17-15(19)9-11-5-3-2-4-6-11/h2-8,10,21H,9H2,1H3,(H,17,19)(H,18,20)
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n/an/a 182n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni KDAC8 using (FAM)-labeled peptide as substrate after 60 mins by microfluidic assay


Bioorg Med Chem 25: 2105-2132 (2017)


Article DOI: 10.1016/j.bmc.2017.02.020
BindingDB Entry DOI: 10.7270/Q2PG1V0C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 8


(Schistosoma mansoni)
BDBM50164524
PNG
(CHEMBL3799265)
Show SMILES COc1ccc(cc1NC(=O)Cc1ccccc1)C(=O)NO
Show InChI InChI=1S/C16H16N2O4/c1-22-14-8-7-12(16(20)18-21)10-13(14)17-15(19)9-11-5-3-2-4-6-11/h2-8,10,21H,9H2,1H3,(H,17,19)(H,18,20)
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n/an/a 183n/an/an/an/an/an/a



Martin-Luther University of Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of recombinant Schistosoma mansoni HDAC8 expressed in Escherichia coli using Fluor de Lys as substrate preincubated for 90 mins followed b...


J Med Chem 59: 2423-35 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01478
BindingDB Entry DOI: 10.7270/Q28054HC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 8


(Schistosoma mansoni)
BDBM50164539
PNG
(CHEMBL3798870)
Show SMILES COc1ccc(cc1NC(=O)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C15H14N2O4/c1-21-13-8-7-11(15(19)17-20)9-12(13)16-14(18)10-5-3-2-4-6-10/h2-9,20H,1H3,(H,16,18)(H,17,19)
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n/an/a 190n/an/an/an/an/an/a



Martin-Luther University of Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of recombinant Schistosoma mansoni HDAC8 expressed in Escherichia coli using Fluor de Lys as substrate preincubated for 90 mins followed b...


J Med Chem 59: 2423-35 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01478
BindingDB Entry DOI: 10.7270/Q28054HC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 8


(Schistosoma mansoni)
BDBM50164530
PNG
(CHEMBL3797232)
Show SMILES ONC(=O)c1ccc(Cl)c(NC(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C14H9Cl3N2O3/c15-8-2-3-9(11(17)6-8)14(21)18-12-5-7(13(20)19-22)1-4-10(12)16/h1-6,22H,(H,18,21)(H,19,20)
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n/an/a 191n/an/an/an/an/an/a



Martin-Luther University of Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of recombinant Schistosoma mansoni HDAC8 expressed in Escherichia coli using Fluor de Lys as substrate preincubated for 90 mins followed b...


J Med Chem 59: 2423-35 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01478
BindingDB Entry DOI: 10.7270/Q28054HC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 8


(Schistosoma mansoni)
BDBM50164530
PNG
(CHEMBL3797232)
Show SMILES ONC(=O)c1ccc(Cl)c(NC(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C14H9Cl3N2O3/c15-8-2-3-9(11(17)6-8)14(21)18-12-5-7(13(20)19-22)1-4-10(12)16/h1-6,22H,(H,18,21)(H,19,20)
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n/an/a 191n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni KDAC8 using (FAM)-labeled peptide as substrate after 60 mins by microfluidic assay


Bioorg Med Chem 25: 2105-2132 (2017)


Article DOI: 10.1016/j.bmc.2017.02.020
BindingDB Entry DOI: 10.7270/Q2PG1V0C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 8


(Schistosoma mansoni)
BDBM50164539
PNG
(CHEMBL3798870)
Show SMILES COc1ccc(cc1NC(=O)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C15H14N2O4/c1-21-13-8-7-11(15(19)17-20)9-12(13)16-14(18)10-5-3-2-4-6-10/h2-9,20H,1H3,(H,16,18)(H,17,19)
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n/an/a 191n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni KDAC8 using (FAM)-labeled peptide as substrate after 60 mins by microfluidic assay


Bioorg Med Chem 25: 2105-2132 (2017)


Article DOI: 10.1016/j.bmc.2017.02.020
BindingDB Entry DOI: 10.7270/Q2PG1V0C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 8


(Schistosoma mansoni)
BDBM50578971
PNG
(CHEMBL4853828)
Show SMILES Cl.COc1ccc(cc1NC(=O)c1ccc2[nH]c3CCN(C)Cc3c2c1)C(=O)NO
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n/an/a 200n/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
Histone deacetylase 8


(Schistosoma mansoni)
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 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)
BDBM50164516
PNG
(CHEMBL3800057)
Show SMILES CC(C)Oc1ccc(cc1NC(=O)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C17H18N2O4/c1-11(2)23-15-9-8-13(17(21)19-22)10-14(15)18-16(20)12-6-4-3-5-7-12/h3-11,22H,1-2H3,(H,18,20)(H,19,21)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 219n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni KDAC8 using (FAM)-labeled peptide as substrate after 60 mins by microfluidic assay


Bioorg Med Chem 25: 2105-2132 (2017)


Article DOI: 10.1016/j.bmc.2017.02.020
BindingDB Entry DOI: 10.7270/Q2PG1V0C
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Schistosoma mansoni)
BDBM50164516
PNG
(CHEMBL3800057)
Show SMILES CC(C)Oc1ccc(cc1NC(=O)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C17H18N2O4/c1-11(2)23-15-9-8-13(17(21)19-22)10-14(15)18-16(20)12-6-4-3-5-7-12/h3-11,22H,1-2H3,(H,18,20)(H,19,21)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 220n/an/an/an/an/an/a



Martin-Luther University of Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of recombinant Schistosoma mansoni HDAC8 expressed in Escherichia coli using Fluor de Lys as substrate preincubated for 90 mins followed b...


J Med Chem 59: 2423-35 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01478
BindingDB Entry DOI: 10.7270/Q28054HC
More data for this
Ligand-Target Pair
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