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Compile Data Set for Download or QSAR

Found 118 hits Enz. Inhib. hit(s) with all data for entry = 50000517   
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 3


(Homo sapiens (Human))
BDBM24622
PNG
(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Show SMILES CN(C)Cc1c(oc2ccccc12)C(=O)NCCOc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C21H23N3O5/c1-24(2)13-17-16-5-3-4-6-18(16)29-19(17)21(26)22-11-12-28-15-9-7-14(8-10-15)20(25)23-27/h3-10,27H,11-13H2,1-2H3,(H,22,26)(H,23,25)
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10n/an/an/an/an/an/an/an/a



SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium.

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 (unknown origin)


Eur J Med Chem 135: 174-195 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.013
BindingDB Entry DOI: 10.7270/Q2G44SQS
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM24622
PNG
(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Show SMILES CN(C)Cc1c(oc2ccccc12)C(=O)NCCOc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C21H23N3O5/c1-24(2)13-17-16-5-3-4-6-18(16)29-19(17)21(26)22-11-12-28-15-9-7-14(8-10-15)20(25)23-27/h3-10,27H,11-13H2,1-2H3,(H,22,26)(H,23,25)
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10n/an/an/an/an/an/an/an/a



SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium.

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin)


Eur J Med Chem 135: 174-195 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.013
BindingDB Entry DOI: 10.7270/Q2G44SQS
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM24622
PNG
(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Show SMILES CN(C)Cc1c(oc2ccccc12)C(=O)NCCOc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C21H23N3O5/c1-24(2)13-17-16-5-3-4-6-18(16)29-19(17)21(26)22-11-12-28-15-9-7-14(8-10-15)20(25)23-27/h3-10,27H,11-13H2,1-2H3,(H,22,26)(H,23,25)
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20n/an/an/an/an/an/an/an/a



SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium.

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 (unknown origin)


Eur J Med Chem 135: 174-195 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.013
BindingDB Entry DOI: 10.7270/Q2G44SQS
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM24622
PNG
(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Show SMILES CN(C)Cc1c(oc2ccccc12)C(=O)NCCOc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C21H23N3O5/c1-24(2)13-17-16-5-3-4-6-18(16)29-19(17)21(26)22-11-12-28-15-9-7-14(8-10-15)20(25)23-27/h3-10,27H,11-13H2,1-2H3,(H,22,26)(H,23,25)
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20n/an/an/an/an/an/an/an/a



SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 using Boc-Lys(acetyl)-AMC as substrate after 1 hr by fluorescence assay


Eur J Med Chem 135: 174-195 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.013
BindingDB Entry DOI: 10.7270/Q2G44SQS
More data for this
Ligand-Target Pair
Polyamine deacetylase HDAC10


(Homo sapiens (Human))
BDBM24622
PNG
(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Show SMILES CN(C)Cc1c(oc2ccccc12)C(=O)NCCOc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C21H23N3O5/c1-24(2)13-17-16-5-3-4-6-18(16)29-19(17)21(26)22-11-12-28-15-9-7-14(8-10-15)20(25)23-27/h3-10,27H,11-13H2,1-2H3,(H,22,26)(H,23,25)
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20n/an/an/an/an/an/an/an/a



SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human HDAC10 (1 to 631 residues) expressed in baculovirus expression system in Sf9 cells RHKAcKAc after 2 hrs by ...


Eur J Med Chem 135: 174-195 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.013
BindingDB Entry DOI: 10.7270/Q2G44SQS
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM24622
PNG
(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Show SMILES CN(C)Cc1c(oc2ccccc12)C(=O)NCCOc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C21H23N3O5/c1-24(2)13-17-16-5-3-4-6-18(16)29-19(17)21(26)22-11-12-28-15-9-7-14(8-10-15)20(25)23-27/h3-10,27H,11-13H2,1-2H3,(H,22,26)(H,23,25)
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280n/an/an/an/an/an/an/an/a



SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium.

Curated by ChEMBL


Assay Description
Inhibition of full length human HDAC8 expressed in an E. coli expression system using AMC-labeled RHKAcKAc as substrate after 2 hrs by fluorescence a...


Eur J Med Chem 135: 174-195 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.013
BindingDB Entry DOI: 10.7270/Q2G44SQS
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50252391
PNG
(CHEMBL4080014)
Show SMILES Cc1nc2ccccc2n1Cc1ccc(cc1F)C(=O)NO
Show InChI InChI=1S/C16H14FN3O2/c1-10-18-14-4-2-3-5-15(14)20(10)9-12-7-6-11(8-13(12)17)16(21)19-22/h2-8,22H,9H2,1H3,(H,19,21)
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n/an/a 0.800n/an/an/an/an/an/a



SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 using Boc-Lys(acetyl)-AMC as substrate after 1 hr by fluorescence assay


Eur J Med Chem 135: 174-195 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.013
BindingDB Entry DOI: 10.7270/Q2G44SQS
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM119703
PNG
(US8685992, 27)
Show SMILES COc1ccc(cc1)-c1cc(-c2ccoc2)c([nH]1)C(=O)NCc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C29H24N4O3S/c30-24-3-1-2-4-25(24)33-28(35)20-7-5-18(6-8-20)16-31-29(36)27-23(19-9-11-22(34)12-10-19)15-26(32-27)21-13-14-37-17-21/h1-15,17,32,34H,16,30H2,(H,31,36)(H,33,35)
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n/an/a 2n/an/an/an/an/an/a



SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged full length human HDAC6 expressed in baculovirus expression system in Sf9 cells using AMC-labeled RHKKAc as subst...


Eur J Med Chem 135: 174-195 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.013
BindingDB Entry DOI: 10.7270/Q2G44SQS
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50252394
PNG
(CHEMBL4090165)
Show SMILES ONC(=O)c1ccc(Cn2cc(nn2)-c2ccc(CN3CCCC3)cc2)cc1
Show InChI InChI=1S/C21H23N5O2/c27-21(23-28)19-9-5-17(6-10-19)14-26-15-20(22-24-26)18-7-3-16(4-8-18)13-25-11-1-2-12-25/h3-10,15,28H,1-2,11-14H2,(H,23,27)
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n/an/a 2n/an/an/an/an/an/a



SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3 using Boc-Lys (Ac)-AMC substrate by fluorescence assay


Eur J Med Chem 135: 174-195 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.013
BindingDB Entry DOI: 10.7270/Q2G44SQS
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50252395
PNG
(CHEMBL4087616)
Show SMILES CN1C(=O)C2CN(Cc3c2c2ccccc2n3Cc2ccc(cc2)C(=O)NO)C1=O
Show InChI InChI=1S/C22H20N4O4/c1-24-21(28)16-11-25(22(24)29)12-18-19(16)15-4-2-3-5-17(15)26(18)10-13-6-8-14(9-7-13)20(27)23-30/h2-9,16,30H,10-12H2,1H3,(H,23,27)
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n/an/a 4n/an/an/an/an/an/a



SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using RHKKAc as substrate by fluorescence assay


Eur J Med Chem 135: 174-195 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.013
BindingDB Entry DOI: 10.7270/Q2G44SQS
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



SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 using Boc-Lys(acetyl)-AMC as substrate after 1 hr by fluorescence assay


Eur J Med Chem 135: 174-195 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.013
BindingDB Entry DOI: 10.7270/Q2G44SQS
More data for this
Ligand-Target Pair
Histone deacetylase


(Zea mays)
BDBM50105329
PNG
(CHEMBL1213492)
Show SMILES CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(cc3)C(=O)NO)ccc2c1
Show InChI InChI=1S/C24H27N3O4/c1-3-27(4-2)15-17-5-7-21-14-18(6-8-20(21)13-17)16-31-24(29)25-22-11-9-19(10-12-22)23(28)26-30/h5-14,30H,3-4,15-16H2,1-2H3,(H,25,29)(H,26,28)
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n/an/a 7.5n/an/an/an/an/an/a



SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium.

Curated by ChEMBL


Assay Description
Inhibition of maize HD1B


Eur J Med Chem 135: 174-195 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.013
BindingDB Entry DOI: 10.7270/Q2G44SQS
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50252392
PNG
(CHEMBL4069287)
Show SMILES ONC(=O)c1ccc(Cn2c3CCS(=O)(=O)c3c3ccccc23)cc1
Show InChI InChI=1S/C18H16N2O4S/c21-18(19-22)13-7-5-12(6-8-13)11-20-15-4-2-1-3-14(15)17-16(20)9-10-25(17,23)24/h1-8,22H,9-11H2,(H,19,21)
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n/an/a 8n/an/an/an/an/an/a



SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 using Boc-Lys(acetyl)-AMC as substrate after 1 hr by fluorescence assay


Eur J Med Chem 135: 174-195 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.013
BindingDB Entry DOI: 10.7270/Q2G44SQS
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50252390
PNG
(CHEMBL4104247)
Show SMILES [H][C@]12CCCC[C@@]1([H])N(Cc1ccc(cc1)C(=O)NO)c1ccccc1S(=O)(=O)C2 |r|
Show InChI InChI=1S/C21H24N2O4S/c24-21(22-25)16-11-9-15(10-12-16)13-23-18-6-2-1-5-17(18)14-28(26,27)20-8-4-3-7-19(20)23/h3-4,7-12,17-18,25H,1-2,5-6,13-14H2,(H,22,24)/t17-,18-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 using Boc-Lys(acetyl)-AMC as substrate after 1 hr by fluorescence assay


Eur J Med Chem 135: 174-195 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.013
BindingDB Entry DOI: 10.7270/Q2G44SQS
More data for this
Ligand-Target Pair
Histone deacetylase 7


(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



SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium.

Curated by ChEMBL


Assay Description
Inhibition of HDAC7 (unknown origin) using acetyl-Gly-Ala-(N-acetyl-Lys)-amino-4-methylcoumarin as substrate after 15 mins by fluorescence assay


Eur J Med Chem 135: 174-195 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.013
BindingDB Entry DOI: 10.7270/Q2G44SQS
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50252393
PNG
(CHEMBL4060412)
Show SMILES ONC(=O)\C=C\c1cccc(c1)C(=O)NO
Show InChI InChI=1S/C10H10N2O4/c13-9(11-15)5-4-7-2-1-3-8(6-7)10(14)12-16/h1-6,15-16H,(H,11,13)(H,12,14)/b5-4+
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n/an/a 10n/an/an/an/an/an/a



SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium.

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin)


Eur J Med Chem 135: 174-195 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.013
BindingDB Entry DOI: 10.7270/Q2G44SQS
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50252394
PNG
(CHEMBL4090165)
Show SMILES ONC(=O)c1ccc(Cn2cc(nn2)-c2ccc(CN3CCCC3)cc2)cc1
Show InChI InChI=1S/C21H23N5O2/c27-21(23-28)19-9-5-17(6-10-19)14-26-15-20(22-24-26)18-7-3-16(4-8-18)13-25-11-1-2-12-25/h3-10,15,28H,1-2,11-14H2,(H,23,27)
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n/an/a 11n/an/an/an/an/an/a



SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 using Boc-Lys (Ac)-AMC substrate by fluorescence assay


Eur J Med Chem 135: 174-195 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.013
BindingDB Entry DOI: 10.7270/Q2G44SQS
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50380399
PNG
(CHEMBL2018302 | Tubastatin A | US10227295, Compoun...)
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



SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 using Boc-Lys(acetyl)-AMC as substrate after 1 hr by fluorescence assay


Eur J Med Chem 135: 174-195 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.013
BindingDB Entry DOI: 10.7270/Q2G44SQS
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50252388
PNG
(CHEMBL4079541)
Show SMILES OCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Cc1ccccc1
Show InChI InChI=1S/C18H20N2O4/c21-11-10-20(17(22)12-14-4-2-1-3-5-14)13-15-6-8-16(9-7-15)18(23)19-24/h1-9,21,24H,10-13H2,(H,19,23)
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n/an/a 25n/an/an/an/an/an/a



SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 after 15 mins by trypsin-coupled fluorescence assay


Eur J Med Chem 135: 174-195 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.013
BindingDB Entry DOI: 10.7270/Q2G44SQS
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50252394
PNG
(CHEMBL4090165)
Show SMILES ONC(=O)c1ccc(Cn2cc(nn2)-c2ccc(CN3CCCC3)cc2)cc1
Show InChI InChI=1S/C21H23N5O2/c27-21(23-28)19-9-5-17(6-10-19)14-26-15-20(22-24-26)18-7-3-16(4-8-18)13-25-11-1-2-12-25/h3-10,15,28H,1-2,11-14H2,(H,23,27)
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n/an/a 25n/an/an/an/an/an/a



SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using Boc-Lys (Ac)-AMC substrate by fluorescence assay


Eur J Med Chem 135: 174-195 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.013
BindingDB Entry DOI: 10.7270/Q2G44SQS
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50252394
PNG
(CHEMBL4090165)
Show SMILES ONC(=O)c1ccc(Cn2cc(nn2)-c2ccc(CN3CCCC3)cc2)cc1
Show InChI InChI=1S/C21H23N5O2/c27-21(23-28)19-9-5-17(6-10-19)14-26-15-20(22-24-26)18-7-3-16(4-8-18)13-25-11-1-2-12-25/h3-10,15,28H,1-2,11-14H2,(H,23,27)
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n/an/a 29n/an/an/an/an/an/a



SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC2 using Boc-Lys (Ac)-AMC substrate by fluorescence assay


Eur J Med Chem 135: 174-195 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.013
BindingDB Entry DOI: 10.7270/Q2G44SQS
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50252391
PNG
(CHEMBL4080014)
Show SMILES Cc1nc2ccccc2n1Cc1ccc(cc1F)C(=O)NO
Show InChI InChI=1S/C16H14FN3O2/c1-10-18-14-4-2-3-5-15(14)20(10)9-12-7-6-11(8-13(12)17)16(21)19-22/h2-8,22H,9H2,1H3,(H,19,21)
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n/an/a 30n/an/an/an/an/an/a



SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human HDAC7 (518 to end residues) expressed in baculovirus expression system using AMC-labeled RHKKAc as substrat...


Eur J Med Chem 135: 174-195 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.013
BindingDB Entry DOI: 10.7270/Q2G44SQS
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50252389
PNG
(CHEMBL4103801)
Show SMILES ONC(=O)c1ccc(NCc2csc3ccc(Br)cc23)cc1
Show InChI InChI=1S/C16H13BrN2O2S/c17-12-3-6-15-14(7-12)11(9-22-15)8-18-13-4-1-10(2-5-13)16(20)19-21/h1-7,9,18,21H,8H2,(H,19,20)
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n/an/a 37n/an/an/an/an/an/a



SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 using Boc-Lys(acetyl)-AMC as substrate after 1 hr by fluorescence assay


Eur J Med Chem 135: 174-195 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.013
BindingDB Entry DOI: 10.7270/Q2G44SQS
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM198121
PNG
(HPOB)
Show SMILES OCCN(C(=O)Cc1ccc(cc1)C(=O)NO)c1ccccc1
Show InChI InChI=1S/C17H18N2O4/c20-11-10-19(15-4-2-1-3-5-15)16(21)12-13-6-8-14(9-7-13)17(22)18-23/h1-9,20,23H,10-12H2,(H,18,22)
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n/an/a 56n/an/an/an/an/an/a



SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 after 15 mins by trypsin-coupled fluorescence assay


Eur J Med Chem 135: 174-195 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.013
BindingDB Entry DOI: 10.7270/Q2G44SQS
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM119703
PNG
(US8685992, 27)
Show SMILES COc1ccc(cc1)-c1cc(-c2ccoc2)c([nH]1)C(=O)NCc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C29H24N4O3S/c30-24-3-1-2-4-25(24)33-28(35)20-7-5-18(6-8-20)16-31-29(36)27-23(19-9-11-22(34)12-10-19)15-26(32-27)21-13-14-37-17-21/h1-15,17,32,34H,16,30H2,(H,31,36)(H,33,35)
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n/an/a 70n/an/an/an/an/an/a



SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal GST-tagged full length human HDAC1 expressed in baculovirus expression system in Sf9 cells using AMC-labeled RHKKAc as subst...


Eur J Med Chem 135: 174-195 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.013
BindingDB Entry DOI: 10.7270/Q2G44SQS
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50252393
PNG
(CHEMBL4060412)
Show SMILES ONC(=O)\C=C\c1cccc(c1)C(=O)NO
Show InChI InChI=1S/C10H10N2O4/c13-9(11-15)5-4-7-2-1-3-8(6-7)10(14)12-16/h1-6,15-16H,(H,11,13)(H,12,14)/b5-4+
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n/an/a 70n/an/an/an/an/an/a



SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium.

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 (unknown origin)


Eur J Med Chem 135: 174-195 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.013
BindingDB Entry DOI: 10.7270/Q2G44SQS
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50252391
PNG
(CHEMBL4080014)
Show SMILES Cc1nc2ccccc2n1Cc1ccc(cc1F)C(=O)NO
Show InChI InChI=1S/C16H14FN3O2/c1-10-18-14-4-2-3-5-15(14)20(10)9-12-7-6-11(8-13(12)17)16(21)19-22/h2-8,22H,9H2,1H3,(H,19,21)
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n/an/a 70n/an/an/an/an/an/a



SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human HDAC9 (604 to 1066 residues) expressed in baculovirus expression system after 2 hrs by fluorescence assay


Eur J Med Chem 135: 174-195 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.013
BindingDB Entry DOI: 10.7270/Q2G44SQS
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM119703
PNG
(US8685992, 27)
Show SMILES COc1ccc(cc1)-c1cc(-c2ccoc2)c([nH]1)C(=O)NCc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C29H24N4O3S/c30-24-3-1-2-4-25(24)33-28(35)20-7-5-18(6-8-20)16-31-29(36)27-23(19-9-11-22(34)12-10-19)15-26(32-27)21-13-14-37-17-21/h1-15,17,32,34H,16,30H2,(H,31,36)(H,33,35)
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n/an/a 80n/an/an/an/an/an/a



SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged full length human HDAC3 expressed in baculovirus expression system using AMC-labeled RHKKAc as substrate after 2 ...


Eur J Med Chem 135: 174-195 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.013
BindingDB Entry DOI: 10.7270/Q2G44SQS
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50252392
PNG
(CHEMBL4069287)
Show SMILES ONC(=O)c1ccc(Cn2c3CCS(=O)(=O)c3c3ccccc23)cc1
Show InChI InChI=1S/C18H16N2O4S/c21-18(19-22)13-7-5-12(6-8-13)11-20-15-4-2-1-3-14(15)17-16(20)9-10-25(17,23)24/h1-8,22H,9-11H2,(H,19,21)
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n/an/a 100n/an/an/an/an/an/a



SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human HDAC7 (518 to end residues) expressed in baculovirus expression system using AMC-labeled RHKKAc as substrat...


Eur J Med Chem 135: 174-195 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.013
BindingDB Entry DOI: 10.7270/Q2G44SQS
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50252383
PNG
(CHEMBL4105617)
Show SMILES ONC(=O)c1cccc(c1)-c1csc(CSc2ccccc2)n1
Show InChI InChI=1S/C17H14N2O2S2/c20-17(19-21)13-6-4-5-12(9-13)15-10-23-16(18-15)11-22-14-7-2-1-3-8-14/h1-10,21H,11H2,(H,19,20)
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n/an/a 150n/an/an/an/an/an/a



SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium.

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 (unknown origin) by fluorescence assay


Eur J Med Chem 135: 174-195 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.013
BindingDB Entry DOI: 10.7270/Q2G44SQS
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM119703
PNG
(US8685992, 27)
Show SMILES COc1ccc(cc1)-c1cc(-c2ccoc2)c([nH]1)C(=O)NCc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C29H24N4O3S/c30-24-3-1-2-4-25(24)33-28(35)20-7-5-18(6-8-20)16-31-29(36)27-23(19-9-11-22(34)12-10-19)15-26(32-27)21-13-14-37-17-21/h1-15,17,32,34H,16,30H2,(H,31,36)(H,33,35)
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n/an/a 150n/an/an/an/an/an/a



SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium.

Curated by ChEMBL


Assay Description
Inhibition of full length human HDAC8 expressed in an E. coli expression system using AMC-labeled RHKAcKAc as substrate after 2 hrs by fluorescence a...


Eur J Med Chem 135: 174-195 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.013
BindingDB Entry DOI: 10.7270/Q2G44SQS
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM119703
PNG
(US8685992, 27)
Show SMILES COc1ccc(cc1)-c1cc(-c2ccoc2)c([nH]1)C(=O)NCc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C29H24N4O3S/c30-24-3-1-2-4-25(24)33-28(35)20-7-5-18(6-8-20)16-31-29(36)27-23(19-9-11-22(34)12-10-19)15-26(32-27)21-13-14-37-17-21/h1-15,17,32,34H,16,30H2,(H,31,36)(H,33,35)
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n/an/a 160n/an/an/an/an/an/a



SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human HDAC9 (604 to 1066 residues) expressed in baculovirus expression system after 2 hrs by fluorescence assay


Eur J Med Chem 135: 174-195 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.013
BindingDB Entry DOI: 10.7270/Q2G44SQS
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM119703
PNG
(US8685992, 27)
Show SMILES COc1ccc(cc1)-c1cc(-c2ccoc2)c([nH]1)C(=O)NCc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C29H24N4O3S/c30-24-3-1-2-4-25(24)33-28(35)20-7-5-18(6-8-20)16-31-29(36)27-23(19-9-11-22(34)12-10-19)15-26(32-27)21-13-14-37-17-21/h1-15,17,32,34H,16,30H2,(H,31,36)(H,33,35)
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n/an/a 160n/an/an/an/an/an/a



SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged full length human HDAC2 expressed in baculovirus expression system in Sf9 cells using AMC-labeled RHKKAc as subst...


Eur J Med Chem 135: 174-195 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.013
BindingDB Entry DOI: 10.7270/Q2G44SQS
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50252391
PNG
(CHEMBL4080014)
Show SMILES Cc1nc2ccccc2n1Cc1ccc(cc1F)C(=O)NO
Show InChI InChI=1S/C16H14FN3O2/c1-10-18-14-4-2-3-5-15(14)20(10)9-12-7-6-11(8-13(12)17)16(21)19-22/h2-8,22H,9H2,1H3,(H,19,21)
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n/an/a 200n/an/an/an/an/an/a



SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium.

Curated by ChEMBL


Assay Description
Inhibition of full length human HDAC8 expressed in an E. coli expression system using AMC-labeled RHKAcKAc as substrate after 2 hrs by fluorescence a...


Eur J Med Chem 135: 174-195 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.013
BindingDB Entry DOI: 10.7270/Q2G44SQS
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50252392
PNG
(CHEMBL4069287)
Show SMILES ONC(=O)c1ccc(Cn2c3CCS(=O)(=O)c3c3ccccc23)cc1
Show InChI InChI=1S/C18H16N2O4S/c21-18(19-22)13-7-5-12(6-8-13)11-20-15-4-2-1-3-14(15)17-16(20)9-10-25(17,23)24/h1-8,22H,9-11H2,(H,19,21)
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SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human HDAC9 (604 to 1066 residues) expressed in baculovirus expression system after 2 hrs by fluorescence assay


Eur J Med Chem 135: 174-195 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.013
BindingDB Entry DOI: 10.7270/Q2G44SQS
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50252391
PNG
(CHEMBL4080014)
Show SMILES Cc1nc2ccccc2n1Cc1ccc(cc1F)C(=O)NO
Show InChI InChI=1S/C16H14FN3O2/c1-10-18-14-4-2-3-5-15(14)20(10)9-12-7-6-11(8-13(12)17)16(21)19-22/h2-8,22H,9H2,1H3,(H,19,21)
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n/an/a 200n/an/an/an/an/an/a



SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged full length human HDAC5 expressed in baculovirus expression system in Sf9 cells using AMC-labeled RHKKAc as subst...


Eur J Med Chem 135: 174-195 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.013
BindingDB Entry DOI: 10.7270/Q2G44SQS
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM119703
PNG
(US8685992, 27)
Show SMILES COc1ccc(cc1)-c1cc(-c2ccoc2)c([nH]1)C(=O)NCc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C29H24N4O3S/c30-24-3-1-2-4-25(24)33-28(35)20-7-5-18(6-8-20)16-31-29(36)27-23(19-9-11-22(34)12-10-19)15-26(32-27)21-13-14-37-17-21/h1-15,17,32,34H,16,30H2,(H,31,36)(H,33,35)
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n/an/a 220n/an/an/an/an/an/a



SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged full length human HDAC5 expressed in baculovirus expression system in Sf9 cells using AMC-labeled RHKKAc as subst...


Eur J Med Chem 135: 174-195 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.013
BindingDB Entry DOI: 10.7270/Q2G44SQS
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50252395
PNG
(CHEMBL4087616)
Show SMILES CN1C(=O)C2CN(Cc3c2c2ccccc2n3Cc2ccc(cc2)C(=O)NO)C1=O
Show InChI InChI=1S/C22H20N4O4/c1-24-21(28)16-11-25(22(24)29)12-18-19(16)15-4-2-3-5-17(15)26(18)10-13-6-8-14(9-7-13)20(27)23-30/h2-9,16,30H,10-12H2,1H3,(H,23,27)
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n/an/a 250n/an/an/an/an/an/a



SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8 using RHKKAc as substrate by fluorescence assay


Eur J Med Chem 135: 174-195 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.013
BindingDB Entry DOI: 10.7270/Q2G44SQS
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50252394
PNG
(CHEMBL4090165)
Show SMILES ONC(=O)c1ccc(Cn2cc(nn2)-c2ccc(CN3CCCC3)cc2)cc1
Show InChI InChI=1S/C21H23N5O2/c27-21(23-28)19-9-5-17(6-10-19)14-26-15-20(22-24-26)18-7-3-16(4-8-18)13-25-11-1-2-12-25/h3-10,15,28H,1-2,11-14H2,(H,23,27)
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n/an/a 280n/an/an/an/an/an/a



SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC8 using Boc-Lys (Ac)-AMC substrate by fluorescence assay


Eur J Med Chem 135: 174-195 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.013
BindingDB Entry DOI: 10.7270/Q2G44SQS
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM119703
PNG
(US8685992, 27)
Show SMILES COc1ccc(cc1)-c1cc(-c2ccoc2)c([nH]1)C(=O)NCc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C29H24N4O3S/c30-24-3-1-2-4-25(24)33-28(35)20-7-5-18(6-8-20)16-31-29(36)27-23(19-9-11-22(34)12-10-19)15-26(32-27)21-13-14-37-17-21/h1-15,17,32,34H,16,30H2,(H,31,36)(H,33,35)
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n/an/a 290n/an/an/an/an/an/a



SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human HDAC7 (518 to end residues) expressed in baculovirus expression system using AMC-labeled RHKKAc as substrat...


Eur J Med Chem 135: 174-195 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.013
BindingDB Entry DOI: 10.7270/Q2G44SQS
More data for this
Ligand-Target Pair
Polyamine deacetylase HDAC10


(Homo sapiens (Human))
BDBM119703
PNG
(US8685992, 27)
Show SMILES COc1ccc(cc1)-c1cc(-c2ccoc2)c([nH]1)C(=O)NCc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C29H24N4O3S/c30-24-3-1-2-4-25(24)33-28(35)20-7-5-18(6-8-20)16-31-29(36)27-23(19-9-11-22(34)12-10-19)15-26(32-27)21-13-14-37-17-21/h1-15,17,32,34H,16,30H2,(H,31,36)(H,33,35)
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n/an/a 290n/an/an/an/an/an/a



SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human HDAC10 (1 to 631 residues) expressed in baculovirus expression system in Sf9 cells RHKAcKAc after 2 hrs by ...


Eur J Med Chem 135: 174-195 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.013
BindingDB Entry DOI: 10.7270/Q2G44SQS
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM119703
PNG
(US8685992, 27)
Show SMILES COc1ccc(cc1)-c1cc(-c2ccoc2)c([nH]1)C(=O)NCc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C29H24N4O3S/c30-24-3-1-2-4-25(24)33-28(35)20-7-5-18(6-8-20)16-31-29(36)27-23(19-9-11-22(34)12-10-19)15-26(32-27)21-13-14-37-17-21/h1-15,17,32,34H,16,30H2,(H,31,36)(H,33,35)
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n/an/a 340n/an/an/an/an/an/a



SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human HDAC11 expressed in baculovirus expression systemRHKAcKAc after 2 hrs by fluorescence assay


Eur J Med Chem 135: 174-195 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.013
BindingDB Entry DOI: 10.7270/Q2G44SQS
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50252392
PNG
(CHEMBL4069287)
Show SMILES ONC(=O)c1ccc(Cn2c3CCS(=O)(=O)c3c3ccccc23)cc1
Show InChI InChI=1S/C18H16N2O4S/c21-18(19-22)13-7-5-12(6-8-13)11-20-15-4-2-1-3-14(15)17-16(20)9-10-25(17,23)24/h1-8,22H,9-11H2,(H,19,21)
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n/an/a 400n/an/an/an/an/an/a



SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged full length human HDAC5 expressed in baculovirus expression system in Sf9 cells using AMC-labeled RHKKAc as subst...


Eur J Med Chem 135: 174-195 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.013
BindingDB Entry DOI: 10.7270/Q2G44SQS
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50252388
PNG
(CHEMBL4079541)
Show SMILES OCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Cc1ccccc1
Show InChI InChI=1S/C18H20N2O4/c21-11-10-20(17(22)12-14-4-2-1-3-5-14)13-15-6-8-16(9-7-15)18(23)19-24/h1-9,21,24H,10-13H2,(H,19,23)
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n/an/a 400n/an/an/an/an/an/a



SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8 after 15 mins by trypsin-coupled fluorescence assay


Eur J Med Chem 135: 174-195 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.013
BindingDB Entry DOI: 10.7270/Q2G44SQS
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50252391
PNG
(CHEMBL4080014)
Show SMILES Cc1nc2ccccc2n1Cc1ccc(cc1F)C(=O)NO
Show InChI InChI=1S/C16H14FN3O2/c1-10-18-14-4-2-3-5-15(14)20(10)9-12-7-6-11(8-13(12)17)16(21)19-22/h2-8,22H,9H2,1H3,(H,19,21)
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n/an/a 500n/an/an/an/an/an/a



SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human HDAC4 (627 to 1085 residues) expressed in baculovirus expression system using AMC-labeled RHKKAc as substra...


Eur J Med Chem 135: 174-195 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.013
BindingDB Entry DOI: 10.7270/Q2G44SQS
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50252392
PNG
(CHEMBL4069287)
Show SMILES ONC(=O)c1ccc(Cn2c3CCS(=O)(=O)c3c3ccccc23)cc1
Show InChI InChI=1S/C18H16N2O4S/c21-18(19-22)13-7-5-12(6-8-13)11-20-15-4-2-1-3-14(15)17-16(20)9-10-25(17,23)24/h1-8,22H,9-11H2,(H,19,21)
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n/an/a 600n/an/an/an/an/an/a



SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human HDAC4 (627 to 1085 residues) expressed in baculovirus expression system using AMC-labeled RHKKAc as substra...


Eur J Med Chem 135: 174-195 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.013
BindingDB Entry DOI: 10.7270/Q2G44SQS
More data for this
Ligand-Target Pair
Polyamine deacetylase HDAC10


(Homo sapiens (Human))
BDBM50252388
PNG
(CHEMBL4079541)
Show SMILES OCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Cc1ccccc1
Show InChI InChI=1S/C18H20N2O4/c21-11-10-20(17(22)12-14-4-2-1-3-5-14)13-15-6-8-16(9-7-15)18(23)19-24/h1-9,21,24H,10-13H2,(H,19,23)
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n/an/a 700n/an/an/an/an/an/a



SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC10 after 15 mins by trypsin-coupled fluorescence assay


Eur J Med Chem 135: 174-195 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.013
BindingDB Entry DOI: 10.7270/Q2G44SQS
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50252388
PNG
(CHEMBL4079541)
Show SMILES OCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Cc1ccccc1
Show InChI InChI=1S/C18H20N2O4/c21-11-10-20(17(22)12-14-4-2-1-3-5-14)13-15-6-8-16(9-7-15)18(23)19-24/h1-9,21,24H,10-13H2,(H,19,23)
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n/an/a 800n/an/an/an/an/an/a



SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 after 15 mins by trypsin-coupled fluorescence assay


Eur J Med Chem 135: 174-195 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.013
BindingDB Entry DOI: 10.7270/Q2G44SQS
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50380399
PNG
(CHEMBL2018302 | Tubastatin A | US10227295, Compoun...)
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 850n/an/an/an/an/an/a



SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium.

Curated by ChEMBL


Assay Description
Inhibition of full length human HDAC8 expressed in an E. coli expression system using AMC-labeled RHKAcKAc as substrate after 2 hrs by fluorescence a...


Eur J Med Chem 135: 174-195 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.013
BindingDB Entry DOI: 10.7270/Q2G44SQS
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM119703
PNG
(US8685992, 27)
Show SMILES COc1ccc(cc1)-c1cc(-c2ccoc2)c([nH]1)C(=O)NCc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C29H24N4O3S/c30-24-3-1-2-4-25(24)33-28(35)20-7-5-18(6-8-20)16-31-29(36)27-23(19-9-11-22(34)12-10-19)15-26(32-27)21-13-14-37-17-21/h1-15,17,32,34H,16,30H2,(H,31,36)(H,33,35)
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n/an/a 1.08E+3n/an/an/an/an/an/a



SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human HDAC4 (627 to 1085 residues) expressed in baculovirus expression system using AMC-labeled RHKKAc as substra...


Eur J Med Chem 135: 174-195 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.013
BindingDB Entry DOI: 10.7270/Q2G44SQS
More data for this
Ligand-Target Pair
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