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Compile Data Set for Download or QSAR

Found 204 hits with Last Name = 'melesina' and Initial = 'j'   
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))
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



Martin-Luther University of Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC8 (unknown origin) using acetyl-Gly-Ala-(N-acetyl-Lys)-amino-4-methylcoumarin as substrate preincubated for 15 mins fol...


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 6


(Homo sapiens (Human))
BDBM50380399
PNG
(CHEMBL2018302 | Tubastatin A | US8748451, 6 | US92...)
Show SMILES CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)
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n/an/a 15n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 using RHKKAc peptide as substrate


J Med Chem 59: 1545-55 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01493
BindingDB Entry DOI: 10.7270/Q2X350BD
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50164533
PNG
(CHEMBL3800182)
Show SMILES COc1ccc(cc1S(=O)(=O)Nc1ccc(C)cc1)C(=O)NO
Show InChI InChI=1S/C15H16N2O5S/c1-10-3-6-12(7-4-10)17-23(20,21)14-9-11(15(18)16-19)5-8-13(14)22-2/h3-9,17,19H,1-2H3,(H,16,18)
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n/an/a 20n/an/an/an/an/an/a



Martin-Luther University of Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC8 using Fluor de Lys as substrate preincubated for 90 mins followed by BML-KI176 addition measured after 45 mins ...


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


(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 24n/an/an/an/an/an/a



Martin-Luther University of Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC8 using Fluor de Lys as substrate preincubated for 90 mins followed by BML-KI176 addition measured after 45 mins ...


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


(Homo sapiens (Human))
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 26n/an/an/an/an/an/a



Martin-Luther University of Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC8 using Fluor de Lys as substrate preincubated for 90 mins followed by BML-KI176 addition measured after 45 mins ...


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


(Homo sapiens (Human))
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)
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n/an/a 29n/an/an/an/an/an/a



Martin-Luther University of Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC8 using Fluor de Lys as substrate preincubated for 90 mins followed by BML-KI176 addition measured after 45 mins ...


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


(Homo sapiens (Human))
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 30n/an/an/an/an/an/a



Martin-Luther University of Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC8 using Fluor de Lys as substrate preincubated for 90 mins followed by BML-KI176 addition measured after 45 mins ...


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 6


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 42n/an/an/an/an/an/a



Martin-Luther University of Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 using Cbz-(Ac)Lys-AMC as substrate preincubated for 90 mins followed by trypsin addition measured after 20 mins...


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 6


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 53n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysis


J Med Chem 59: 1545-55 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01493
BindingDB Entry DOI: 10.7270/Q2X350BD
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50148612
PNG
(CHEMBL3770095)
Show SMILES ONC(=O)c1coc(n1)-c1ccc(Br)cc1
Show InChI InChI=1S/C10H7BrN2O3/c11-7-3-1-6(2-4-7)10-12-8(5-16-10)9(14)13-15/h1-5,15H,(H,13,14)
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n/an/a 59n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysis


J Med Chem 59: 1545-55 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01493
BindingDB Entry DOI: 10.7270/Q2X350BD
More data for this
Ligand-Target Pair
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
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50164658
PNG
(CHEMBL3798268)
Show SMILES CN(C)c1cccc(c1)C(=O)NO
Show InChI InChI=1S/C9H12N2O2/c1-11(2)8-5-3-4-7(6-8)9(12)10-13/h3-6,13H,1-2H3,(H,10,12)
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n/an/a 70n/an/an/an/an/an/a



Martin-Luther University of Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC8 using Fluor de Lys as substrate preincubated for 90 mins followed by BML-KI176 addition measured after 45 mins ...


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)
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
Histone deacetylase 8


(Homo sapiens (Human))
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 77n/an/an/an/an/an/a



Martin-Luther University of Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC8 using Fluor de Lys as substrate preincubated for 90 mins followed by BML-KI176 addition measured after 45 mins ...


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


(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 78n/an/an/an/an/an/a



Martin-Luther University of Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC8 using Fluor de Lys as substrate preincubated for 90 mins followed by BML-KI176 addition measured after 45 mins ...


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 6


(Homo sapiens (Human))
BDBM50148617
PNG
(CHEMBL3771189)
Show SMILES ONC(=O)c1coc(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C10H7ClN2O3/c11-7-3-1-6(2-4-7)10-12-8(5-16-10)9(14)13-15/h1-5,15H,(H,13,14)
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n/an/a 81n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysis


J Med Chem 59: 1545-55 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01493
BindingDB Entry DOI: 10.7270/Q2X350BD
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
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 88n/an/an/an/an/an/a



Martin-Luther University of Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC8 using Fluor de Lys as substrate preincubated for 90 mins followed by BML-KI176 addition measured after 45 mins ...


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 6


(Homo sapiens (Human))
BDBM50148613
PNG
(CHEMBL3771326)
Show SMILES ONC(=O)c1coc(n1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H12N2O3/c19-15(18-20)14-10-21-16(17-14)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10,20H,(H,18,19)
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n/an/a 89n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysis


J Med Chem 59: 1545-55 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01493
BindingDB Entry DOI: 10.7270/Q2X350BD
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50148620
PNG
(CHEMBL3769820)
Show SMILES ONC(=O)c1coc(n1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C14H10N2O3/c17-13(16-18)12-8-19-14(15-12)11-6-5-9-3-1-2-4-10(9)7-11/h1-8,18H,(H,16,17)
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n/an/a 89n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysis


J Med Chem 59: 1545-55 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01493
BindingDB Entry DOI: 10.7270/Q2X350BD
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50164529
PNG
(CHEMBL3800615)
Show SMILES ONC(=O)c1ccc(Cl)c(NC(=O)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C14H10Cl2N2O3/c15-10-4-1-8(2-5-10)13(19)17-12-7-9(14(20)18-21)3-6-11(12)16/h1-7,21H,(H,17,19)(H,18,20)
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n/an/a 90n/an/an/an/an/an/a



Martin-Luther University of Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 using Cbz-(Ac)Lys-AMC as substrate preincubated for 90 mins followed by trypsin addition measured after 20 mins...


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 6


(Homo sapiens (Human))
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 90n/an/an/an/an/an/a



Martin-Luther University of Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 using Cbz-(Ac)Lys-AMC as substrate preincubated for 90 mins followed by trypsin addition measured after 20 mins...


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)
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 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


(Homo sapiens (Human))
BDBM50164659
PNG
(CHEMBL3798833)
Show SMILES Cc1ccc(cc1NC1CCCCC1)C(=O)NO
Show InChI InChI=1S/C14H20N2O2/c1-10-7-8-11(14(17)16-18)9-13(10)15-12-5-3-2-4-6-12/h7-9,12,15,18H,2-6H2,1H3,(H,16,17)
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n/an/a 104n/an/an/an/an/an/a



Martin-Luther University of Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC8 using Fluor de Lys as substrate preincubated for 90 mins followed by BML-KI176 addition measured after 45 mins ...


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 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 6


(Homo sapiens (Human))
BDBM50148618
PNG
(CHEMBL3770763)
Show SMILES ONC(=O)c1coc(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C10H7FN2O3/c11-7-3-1-6(2-4-7)10-12-8(5-16-10)9(14)13-15/h1-5,15H,(H,13,14)
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n/an/a 110n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysis


J Med Chem 59: 1545-55 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01493
BindingDB Entry DOI: 10.7270/Q2X350BD
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50148624
PNG
(CHEMBL3770180)
Show SMILES ONC(=O)c1noc(n1)-c1ccccc1
Show InChI InChI=1S/C9H7N3O3/c13-8(11-14)7-10-9(15-12-7)6-4-2-1-3-5-6/h1-5,14H,(H,11,13)
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n/an/a 112n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysis


J Med Chem 59: 1545-55 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01493
BindingDB Entry DOI: 10.7270/Q2X350BD
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
Histone deacetylase 1


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 117n/an/an/an/an/an/a



Martin-Luther University of Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using Cbz-(Ac)Lys-AMC as substrate preincubated for 90 mins followed by trypsin addition measured after 20 mins...


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 1


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 119n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysis


J Med Chem 59: 1545-55 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01493
BindingDB Entry DOI: 10.7270/Q2X350BD
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
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 120n/an/an/an/an/an/a



Martin-Luther University of Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC8 using Fluor de Lys as substrate preincubated for 90 mins followed by BML-KI176 addition measured after 45 mins ...


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 6


(Homo sapiens (Human))
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 120n/an/an/an/an/an/a



Martin-Luther University of Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 using Cbz-(Ac)Lys-AMC as substrate preincubated for 90 mins followed by trypsin addition measured after 20 mins...


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)
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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n/an/a 122n/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



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 6


(Homo sapiens (Human))
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 130n/an/an/an/an/an/a



Martin-Luther University of Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 using Cbz-(Ac)Lys-AMC as substrate preincubated for 90 mins followed by trypsin addition measured after 20 mins...


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 6


(Homo sapiens (Human))
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 human HDAC6 using Cbz-(Ac)Lys-AMC as substrate preincubated for 90 mins followed by trypsin addition measured after 20 mins...


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)
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


(Homo sapiens (Human))
BDBM50164649
PNG
(CHEMBL3799897)
Show SMILES ONC(=O)c1cccc(NCc2ccccc2)c1
Show InChI InChI=1S/C14H14N2O2/c17-14(16-18)12-7-4-8-13(9-12)15-10-11-5-2-1-3-6-11/h1-9,15,18H,10H2,(H,16,17)
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n/an/a 143n/an/an/an/an/an/a



Martin-Luther University of Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC8 using Fluor de Lys as substrate preincubated for 90 mins followed by BML-KI176 addition measured after 45 mins ...


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 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


(Homo sapiens (Human))
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 149n/an/an/an/an/an/a



Martin-Luther University of Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC8 using Fluor de Lys as substrate preincubated for 90 mins followed by BML-KI176 addition measured after 45 mins ...


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 6


(Homo sapiens (Human))
BDBM50164528
PNG
(CHEMBL3799183)
Show SMILES ONC(=O)c1ccc(Cl)c(NC(=O)c2ccc(Oc3ccccc3)cc2)c1
Show InChI InChI=1S/C20H15ClN2O4/c21-17-11-8-14(20(25)23-26)12-18(17)22-19(24)13-6-9-16(10-7-13)27-15-4-2-1-3-5-15/h1-12,26H,(H,22,24)(H,23,25)
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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 human HDAC6 using Cbz-(Ac)Lys-AMC as substrate preincubated for 90 mins followed by trypsin addition measured after 20 mins...


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 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 6


(Homo sapiens (Human))
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 human HDAC6 using Cbz-(Ac)Lys-AMC as substrate preincubated for 90 mins followed by trypsin addition measured after 20 mins...


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


(Homo sapiens (Human))
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 172n/an/an/an/an/an/a



Martin-Luther University of Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC8 using Fluor de Lys as substrate preincubated for 90 mins followed by BML-KI176 addition measured after 45 mins ...


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)
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 6


(Homo sapiens (Human))
BDBM50148621
PNG
(CHEMBL3770029)
Show SMILES COc1ccc2cc(ccc2c1)-c1nc(co1)C(=O)NO
Show InChI InChI=1S/C15H12N2O4/c1-20-12-5-4-9-6-11(3-2-10(9)7-12)15-16-13(8-21-15)14(18)17-19/h2-8,19H,1H3,(H,17,18)
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n/an/a 182n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysis


J Med Chem 59: 1545-55 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01493
BindingDB Entry DOI: 10.7270/Q2X350BD
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 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
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
Histone deacetylase 8


(Homo sapiens (Human))
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 191n/an/an/an/an/an/a



Martin-Luther University of Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC8 using Fluor de Lys as substrate preincubated for 90 mins followed by BML-KI176 addition measured after 45 mins ...


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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