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Compile Data Set for Download or QSAR

Found 438 hits with Last Name = 'huang' and Initial = 'hl'   
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 2


(Homo sapiens (Human))
BDBM50241905
PNG
(CHEMBL4080164)
Show SMILES Cl.Cc1[nH]c2ccccc2c1CCNCc1cccc(\C=C\C(=O)NO)c1
Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-7-2-3-8-20(19)23-15)11-12-22-14-17-6-4-5-16(13-17)9-10-21(25)24-26/h2-10,13,22-23,26H,11-12,14H2,1H3,(H,24,25)/b10-9+
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n/an/a 0.180n/an/an/an/an/an/a



Taipei Medical University (TMU)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length HDAC2 using Fluor-de-Lys as substrate after 60 mins by spectrofluorimetric analysis


Eur J Med Chem 134: 13-23 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.079
BindingDB Entry DOI: 10.7270/Q2154K5F
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50247556
PNG
(CHEMBL4104117)
Show SMILES ONC(=O)c1ccc(CNc2cccc3cccnc23)cc1
Show InChI InChI=1S/C17H15N3O2/c21-17(20-22)14-8-6-12(7-9-14)11-19-15-5-1-3-13-4-2-10-18-16(13)15/h1-10,19,22H,11H2,(H,20,21)
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n/an/a 0.291n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus infected insect cells using RHK-K(Ac)-AMC as substra...


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50241901
PNG
(CHEMBL4065026)
Show SMILES Cn1ccc2c(CCNS(=O)(=O)c3ccc(\C=C\C(=O)NO)cc3)cccc12
Show InChI InChI=1S/C20H21N3O4S/c1-23-14-12-18-16(3-2-4-19(18)23)11-13-21-28(26,27)17-8-5-15(6-9-17)7-10-20(24)22-25/h2-10,12,14,21,25H,11,13H2,1H3,(H,22,24)/b10-7+
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n/an/a 0.530n/an/an/an/an/an/a



Taipei Medical University (TMU)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length HDAC2 using Fluor-de-Lys as substrate after 60 mins by spectrofluorimetric analysis


Eur J Med Chem 134: 13-23 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.079
BindingDB Entry DOI: 10.7270/Q2154K5F
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50247553
PNG
(CHEMBL4095667)
Show SMILES ONC(=O)c1ccc(CNc2cccc3ncccc23)cc1
Show InChI InChI=1S/C17H15N3O2/c21-17(20-22)13-8-6-12(7-9-13)11-19-16-5-1-4-15-14(16)3-2-10-18-15/h1-10,19,22H,11H2,(H,20,21)
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n/an/a 0.795n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus infected insect cells using RHK-K(Ac)-AMC as substra...


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50241906
PNG
(CHEMBL4069853)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)S(=O)(=O)NCCc1cccc2[nH]ccc12
Show InChI InChI=1S/C19H19N3O4S/c23-19(22-24)9-6-14-4-7-16(8-5-14)27(25,26)21-13-10-15-2-1-3-18-17(15)11-12-20-18/h1-9,11-12,20-21,24H,10,13H2,(H,22,23)/b9-6+
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n/an/a 0.900n/an/an/an/an/an/a



Taipei Medical University (TMU)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length HDAC2 using Fluor-de-Lys as substrate after 60 mins by spectrofluorimetric analysis


Eur J Med Chem 134: 13-23 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.079
BindingDB Entry DOI: 10.7270/Q2154K5F
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50386657
PNG
(CHEMBL2048746)
Show SMILES ONC(=O)\C=C\c1ccc2n(ccc2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H14N2O4S/c20-17(18-21)9-7-13-6-8-16-14(12-13)10-11-19(16)24(22,23)15-4-2-1-3-5-15/h1-12,21H,(H,18,20)/b9-7+
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n/an/a 1n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 after 30 mins by fluorometric assay


J Med Chem 55: 3777-91 (2012)


Article DOI: 10.1021/jm300197a
BindingDB Entry DOI: 10.7270/Q2CR5VD7
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50241905
PNG
(CHEMBL4080164)
Show SMILES Cl.Cc1[nH]c2ccccc2c1CCNCc1cccc(\C=C\C(=O)NO)c1
Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-7-2-3-8-20(19)23-15)11-12-22-14-17-6-4-5-16(13-17)9-10-21(25)24-26/h2-10,13,22-23,26H,11-12,14H2,1H3,(H,24,25)/b10-9+
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n/an/a 1.10n/an/an/an/an/an/a



Taipei Medical University (TMU)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length HDAC1 using Fluor-de-Lys as substrate after 60 mins by spectrofluorimetric analysis


Eur J Med Chem 134: 13-23 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.079
BindingDB Entry DOI: 10.7270/Q2154K5F
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50241906
PNG
(CHEMBL4069853)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)S(=O)(=O)NCCc1cccc2[nH]ccc12
Show InChI InChI=1S/C19H19N3O4S/c23-19(22-24)9-6-14-4-7-16(8-5-14)27(25,26)21-13-10-15-2-1-3-18-17(15)11-12-20-18/h1-9,11-12,20-21,24H,10,13H2,(H,22,23)/b9-6+
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n/an/a 1.30n/an/an/an/an/an/a



Taipei Medical University (TMU)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length HDAC1 using Fluor-de-Lys as substrate after 60 mins by spectrofluorimetric analysis


Eur J Med Chem 134: 13-23 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.079
BindingDB Entry DOI: 10.7270/Q2154K5F
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50241901
PNG
(CHEMBL4065026)
Show SMILES Cn1ccc2c(CCNS(=O)(=O)c3ccc(\C=C\C(=O)NO)cc3)cccc12
Show InChI InChI=1S/C20H21N3O4S/c1-23-14-12-18-16(3-2-4-19(18)23)11-13-21-28(26,27)17-8-5-15(6-9-17)7-10-20(24)22-25/h2-10,12,14,21,25H,11,13H2,1H3,(H,22,24)/b10-7+
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n/an/a 1.30n/an/an/an/an/an/a



Taipei Medical University (TMU)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length HDAC1 using Fluor-de-Lys as substrate after 60 mins by spectrofluorimetric analysis


Eur J Med Chem 134: 13-23 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.079
BindingDB Entry DOI: 10.7270/Q2154K5F
More data for this
Ligand-Target Pair
Histone deacetylase 2


(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 1.70n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 after 30 mins by fluorometric assay


J Med Chem 55: 3777-91 (2012)


Article DOI: 10.1021/jm300197a
BindingDB Entry DOI: 10.7270/Q2CR5VD7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50551233
PNG
(CHEMBL4790152)
Show SMILES CC(C)c1cc(C(=O)N2Cc3ccc(NC(=O)CCCCCCCC(=O)NO)cc3C2)c(O)cc1O
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n/an/a 2.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human HDAC6 using RHK-K(Ac)-AMC as substrate by fluorescence based assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112086
BindingDB Entry DOI: 10.7270/Q2HX1H96
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50247580
PNG
(CHEMBL4091237)
Show SMILES ONC(=O)c1ccc(CNc2cccc3cnccc23)cc1
Show InChI InChI=1S/C17H15N3O2/c21-17(20-22)13-6-4-12(5-7-13)10-19-16-3-1-2-14-11-18-9-8-15(14)16/h1-9,11,19,22H,10H2,(H,20,21)
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n/an/a 2.30n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus infected insect cells using RHK-K(Ac)-AMC as substra...


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50386659
PNG
(CHEMBL2048750)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)n1ccc2cc(\C=C\C(=O)NO)ccc12
Show InChI InChI=1S/C19H18N2O6S/c1-26-17-7-5-15(12-18(17)27-2)28(24,25)21-10-9-14-11-13(3-6-16(14)21)4-8-19(22)20-23/h3-12,23H,1-2H3,(H,20,22)/b8-4+
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n/an/a 2.30n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 after 30 mins by fluorometric assay


J Med Chem 55: 3777-91 (2012)


Article DOI: 10.1021/jm300197a
BindingDB Entry DOI: 10.7270/Q2CR5VD7
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50247560
PNG
(CHEMBL4063376)
Show SMILES ONC(=O)c1ccc(CNc2cncc3ccccc23)cc1
Show InChI InChI=1S/C17H15N3O2/c21-17(20-22)13-7-5-12(6-8-13)9-19-16-11-18-10-14-3-1-2-4-15(14)16/h1-8,10-11,19,22H,9H2,(H,20,21)
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n/an/a 2.30n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus infected insect cells using RHK-K(Ac)-AMC as substra...


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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n/an/a 2.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human HDAC6 using RHK-K(Ac)-AMC as substrate by fluorescence based assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112086
BindingDB Entry DOI: 10.7270/Q2HX1H96
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50247582
PNG
(CHEMBL4098833)
Show SMILES ONC(=O)c1ccc(COc2cccc3cccnc23)cc1
Show InChI InChI=1S/C17H14N2O3/c20-17(19-21)14-8-6-12(7-9-14)11-22-15-5-1-3-13-4-2-10-18-16(13)15/h1-10,21H,11H2,(H,19,20)
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n/an/a 2.80n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus infected insect cells using RHK-K(Ac)-AMC as substra...


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50386658
PNG
(CHEMBL2048749)
Show SMILES COc1ccc(cc1)S(=O)(=O)n1ccc2cc(\C=C\C(=O)NO)ccc12
Show InChI InChI=1S/C18H16N2O5S/c1-25-15-4-6-16(7-5-15)26(23,24)20-11-10-14-12-13(2-8-17(14)20)3-9-18(21)19-22/h2-12,22H,1H3,(H,19,21)/b9-3+
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n/an/a 3.30n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 after 30 mins by fluorometric assay


J Med Chem 55: 3777-91 (2012)


Article DOI: 10.1021/jm300197a
BindingDB Entry DOI: 10.7270/Q2CR5VD7
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50247570
PNG
(CHEMBL4079874)
Show SMILES ONC(=O)c1ccc(CNc2ccc3cccnc3c2)cc1
Show InChI InChI=1S/C17H15N3O2/c21-17(20-22)14-5-3-12(4-6-14)11-19-15-8-7-13-2-1-9-18-16(13)10-15/h1-10,19,22H,11H2,(H,20,21)
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n/an/a 3.30n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus infected insect cells using RHK-K(Ac)-AMC as substra...


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50247561
PNG
(CHEMBL4085971)
Show SMILES ONC(=O)c1ccc(CNc2cccc3ccncc23)cc1
Show InChI InChI=1S/C17H15N3O2/c21-17(20-22)14-6-4-12(5-7-14)10-19-16-3-1-2-13-8-9-18-11-15(13)16/h1-9,11,19,22H,10H2,(H,20,21)
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n/an/a 3.40n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus infected insect cells using RHK-K(Ac)-AMC as substra...


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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n/an/a 3.5n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using RHKKAc peptide as substrate


J Med Chem 61: 7087-7102 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00151
BindingDB Entry DOI: 10.7270/Q26M39FC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50247592
PNG
(CHEMBL4101436)
Show SMILES ONC(=O)c1ccc(CNc2cccc3cn[nH]c23)cc1
Show InChI InChI=1S/C15H14N4O2/c20-15(19-21)11-6-4-10(5-7-11)8-16-13-3-1-2-12-9-17-18-14(12)13/h1-7,9,16,21H,8H2,(H,17,18)(H,19,20)
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n/an/a 3.60n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus infected insect cells using RHK-K(Ac)-AMC as substra...


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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n/an/a 3.60n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus infected insect cells using RHK-K(Ac)-AMC as substra...


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50458571
PNG
(CHEMBL4218266)
Show SMILES COc1ccc(cc1)C(=O)c1ccc2n(Cc3ccc(cc3)C(=O)NO)ccc2c1
Show InChI InChI=1S/C24H20N2O4/c1-30-21-9-6-17(7-10-21)23(27)20-8-11-22-19(14-20)12-13-26(22)15-16-2-4-18(5-3-16)24(28)25-29/h2-14,29H,15H2,1H3,(H,25,28)
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n/an/a 3.90n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using RHKKAc peptide as substrate


J Med Chem 61: 7087-7102 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00151
BindingDB Entry DOI: 10.7270/Q26M39FC
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50386657
PNG
(CHEMBL2048746)
Show SMILES ONC(=O)\C=C\c1ccc2n(ccc2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H14N2O4S/c20-17(18-21)9-7-13-6-8-16-14(12-13)10-11-19(16)24(22,23)15-4-2-1-3-5-15/h1-12,21H,(H,18,20)/b9-7+
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n/an/a 4n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 after 30 mins by fluorometric assay


J Med Chem 55: 3777-91 (2012)


Article DOI: 10.1021/jm300197a
BindingDB Entry DOI: 10.7270/Q2CR5VD7
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50247579
PNG
(CHEMBL4073165)
Show SMILES ONC(=O)c1ccc(CNc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C17H15N3O2/c21-17(20-22)14-7-5-12(6-8-14)11-18-16-10-9-13-3-1-2-4-15(13)19-16/h1-10,22H,11H2,(H,18,19)(H,20,21)
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n/an/a 4.20n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus infected insect cells using RHK-K(Ac)-AMC as substra...


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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n/an/a 4.5n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 using fluorogenic substrate by fluorescence assay


Eur J Med Chem 125: 1268-1278 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.033
BindingDB Entry DOI: 10.7270/Q2XD145D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50439674
PNG
(RICOLINOSTAT | US10858323, Compound 2 | US11207431...)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H27N5O3/c30-22(28-32)15-9-1-2-10-16-25-23(31)19-17-26-24(27-18-19)29(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,17-18,32H,1-2,9-10,15-16H2,(H,25,31)(H,28,30)
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n/an/a 4.70n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus infected insect cells using RHK-K(Ac)-AMC as substra...


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50247571
PNG
(CHEMBL4068310)
Show SMILES ONC(=O)c1ccc(CNc2ccc3ncccc3c2)cc1
Show InChI InChI=1S/C17H15N3O2/c21-17(20-22)13-5-3-12(4-6-13)11-19-15-7-8-16-14(10-15)2-1-9-18-16/h1-10,19,22H,11H2,(H,20,21)
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n/an/a 4.80n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus infected insect cells using RHK-K(Ac)-AMC as substra...


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
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 5n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 after 30 mins by fluorometric assay


J Med Chem 55: 3777-91 (2012)


Article DOI: 10.1021/jm300197a
BindingDB Entry DOI: 10.7270/Q2CR5VD7
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50201999
PNG
(CHEMBL3925939)
Show SMILES ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)c1ccc2cccc(F)c2n1
Show InChI InChI=1S/C18H13FN2O4S/c19-15-6-2-4-13-8-10-17(20-18(13)15)26(24,25)14-5-1-3-12(11-14)7-9-16(22)21-23/h1-11,23H,(H,21,22)/b9-7+
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n/an/a 5.70n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His/FLAG-tagged full length recombinant human HDAC1 expressed in baculovirus expression system assessed as release of 7-amin...


Eur J Med Chem 122: 92-101 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.023
BindingDB Entry DOI: 10.7270/Q2J38VJ5
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50201999
PNG
(CHEMBL3925939)
Show SMILES ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)c1ccc2cccc(F)c2n1
Show InChI InChI=1S/C18H13FN2O4S/c19-15-6-2-4-13-8-10-17(20-18(13)15)26(24,25)14-5-1-3-12(11-14)7-9-16(22)21-23/h1-11,23H,(H,21,22)/b9-7+
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n/an/a 5.90n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human HDAC6 expressed in baculovirus expression system assessed as release of 7-amino-4-methylcoumarin by fluor...


Eur J Med Chem 122: 92-101 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.023
BindingDB Entry DOI: 10.7270/Q2J38VJ5
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50247559
PNG
(CHEMBL4083449)
Show SMILES ONC(=O)c1ccc(CNc2cccc3nccnc23)cc1
Show InChI InChI=1S/C16H14N4O2/c21-16(20-22)12-6-4-11(5-7-12)10-19-14-3-1-2-13-15(14)18-9-8-17-13/h1-9,19,22H,10H2,(H,20,21)
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n/an/a 5.90n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus infected insect cells using RHK-K(Ac)-AMC as substra...


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50458585
PNG
(CHEMBL4206537)
Show SMILES ONC(=O)c1ccc(Cn2ccc3cc(ccc23)C(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C23H17ClN2O3/c24-20-8-5-16(6-9-20)22(27)19-7-10-21-18(13-19)11-12-26(21)14-15-1-3-17(4-2-15)23(28)25-29/h1-13,29H,14H2,(H,25,28)
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n/an/a 6.70n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using RHKKAc peptide as substrate


J Med Chem 61: 7087-7102 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00151
BindingDB Entry DOI: 10.7270/Q26M39FC
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50241901
PNG
(CHEMBL4065026)
Show SMILES Cn1ccc2c(CCNS(=O)(=O)c3ccc(\C=C\C(=O)NO)cc3)cccc12
Show InChI InChI=1S/C20H21N3O4S/c1-23-14-12-18-16(3-2-4-19(18)23)11-13-21-28(26,27)17-8-5-15(6-9-17)7-10-20(24)22-25/h2-10,12,14,21,25H,11,13H2,1H3,(H,22,24)/b10-7+
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n/an/a 6.80n/an/an/an/an/an/a



Taipei Medical University (TMU)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length HDAC6 using Fluor-de-Lys as substrate after 60 mins by spectrofluorimetric analysis


Eur J Med Chem 134: 13-23 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.079
BindingDB Entry DOI: 10.7270/Q2154K5F
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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n/an/a 6.90n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 using RHKK(Ac) as substrate


Eur J Med Chem 150: 667-677 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.006
BindingDB Entry DOI: 10.7270/Q2XW4NGM
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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n/an/a 6.90n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using fluorogenic substrate by fluorescence assay


Eur J Med Chem 125: 1268-1278 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.033
BindingDB Entry DOI: 10.7270/Q2XD145D
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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n/an/a 7n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human C-terminal FLAG-His-tagged HDAC1 (1 to 482 residues) expressed in Sf21 cells using RHK-K(Ac)-AMC as substrate incubat...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112086
BindingDB Entry DOI: 10.7270/Q2HX1H96
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50247564
PNG
(CHEMBL4093020)
Show SMILES ONC(=O)c1ccc(NCc2cccc3cccnc23)cc1
Show InChI InChI=1S/C17H15N3O2/c21-17(20-22)13-6-8-15(9-7-13)19-11-14-4-1-3-12-5-2-10-18-16(12)14/h1-10,19,22H,11H2,(H,20,21)
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n/an/a 7.40n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus infected insect cells using RHK-K(Ac)-AMC as substra...


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50241906
PNG
(CHEMBL4069853)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)S(=O)(=O)NCCc1cccc2[nH]ccc12
Show InChI InChI=1S/C19H19N3O4S/c23-19(22-24)9-6-14-4-7-16(8-5-14)27(25,26)21-13-10-15-2-1-3-18-17(15)11-12-20-18/h1-9,11-12,20-21,24H,10,13H2,(H,22,23)/b9-6+
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n/an/a 8.30n/an/an/an/an/an/a



Taipei Medical University (TMU)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length HDAC6 using Fluor-de-Lys as substrate after 60 mins by spectrofluorimetric analysis


Eur J Med Chem 134: 13-23 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.079
BindingDB Entry DOI: 10.7270/Q2154K5F
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 8.90n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 after 30 mins by fluorometric assay


J Med Chem 55: 3777-91 (2012)


Article DOI: 10.1021/jm300197a
BindingDB Entry DOI: 10.7270/Q2CR5VD7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50458581
PNG
(CHEMBL4215954)
Show SMILES ONC(=O)c1ccc(Cn2ccc3cc(ccc23)C(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C23H17FN2O3/c24-20-8-5-16(6-9-20)22(27)19-7-10-21-18(13-19)11-12-26(21)14-15-1-3-17(4-2-15)23(28)25-29/h1-13,29H,14H2,(H,25,28)
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n/an/a 9.30n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using RHKKAc peptide as substrate


J Med Chem 61: 7087-7102 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00151
BindingDB Entry DOI: 10.7270/Q26M39FC
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50551231
PNG
(CHEMBL4798549)
Show SMILES CC(C)c1cc(C(=O)N2Cc3ccc(NC(=O)CCCCCC(=O)NO)cc3C2)c(O)cc1O
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n/an/a 9.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human HDAC6 using RHK-K(Ac)-AMC as substrate by fluorescence based assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112086
BindingDB Entry DOI: 10.7270/Q2HX1H96
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50247566
PNG
(CHEMBL4080790)
Show SMILES ONC(=O)c1ccc(CSc2cccc3cccnc23)cc1
Show InChI InChI=1S/C17H14N2O2S/c20-17(19-21)14-8-6-12(7-9-14)11-22-15-5-1-3-13-4-2-10-18-16(13)15/h1-10,21H,11H2,(H,19,20)
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n/an/a 9.5n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus infected insect cells using RHK-K(Ac)-AMC as substra...


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM25150
PNG
((2E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2...)
Show SMILES ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+
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n/an/a 9.90n/an/an/an/an/an/a



Taipei Medical University (TMU)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length HDAC6 using Fluor-de-Lys as substrate after 60 mins by spectrofluorimetric analysis


Eur J Med Chem 134: 13-23 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.079
BindingDB Entry DOI: 10.7270/Q2154K5F
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human HDAC3 using RHK-K(Ac)-AMC as substrate by fluorescence based assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112086
BindingDB Entry DOI: 10.7270/Q2HX1H96
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of human HDAC3 using RHKK(Ac) as substrate


Eur J Med Chem 150: 667-677 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.006
BindingDB Entry DOI: 10.7270/Q2XW4NGM
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50247562
PNG
(CHEMBL4064437)
Show SMILES Cc1ccc2cccc(NCc3ccc(cc3)C(=O)NO)c2n1
Show InChI InChI=1S/C18H17N3O2/c1-12-5-8-14-3-2-4-16(17(14)20-12)19-11-13-6-9-15(10-7-13)18(22)21-23/h2-10,19,23H,11H2,1H3,(H,21,22)
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n/an/a 11n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus infected insect cells using RHK-K(Ac)-AMC as substra...


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50202000
PNG
(CHEMBL3973951)
Show SMILES ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)c1ccc2ccccc2n1
Show InChI InChI=1S/C18H14N2O4S/c21-17(20-22)10-8-13-4-3-6-15(12-13)25(23,24)18-11-9-14-5-1-2-7-16(14)19-18/h1-12,22H,(H,20,21)/b10-8+
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n/an/a 11n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human HDAC2 expressed in baculovirus expression system assessed as release of 7-amino-4-methylcoumarin by fluor...


Eur J Med Chem 122: 92-101 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.023
BindingDB Entry DOI: 10.7270/Q2J38VJ5
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50458570
PNG
(CHEMBL4209463)
Show SMILES Cc1ccc(cc1)C(=O)c1ccc2n(Cc3ccc(cc3)C(=O)NO)ccc2c1
Show InChI InChI=1S/C24H20N2O3/c1-16-2-6-18(7-3-16)23(27)21-10-11-22-20(14-21)12-13-26(22)15-17-4-8-19(9-5-17)24(28)25-29/h2-14,29H,15H2,1H3,(H,25,28)
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n/an/a 12n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using RHKKAc peptide as substrate


J Med Chem 61: 7087-7102 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00151
BindingDB Entry DOI: 10.7270/Q26M39FC
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 using RHKKAc peptide as substrate


J Med Chem 61: 7087-7102 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00151
BindingDB Entry DOI: 10.7270/Q26M39FC
More data for this
Ligand-Target Pair
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