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Compile Data Set for Download or QSAR

Found 158 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)
PDB
MMDB

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n/an/a 0.180n/an/an/an/an/an/a



Taipei Medical University (TMU)

Curated by ChEMBL




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


Article DOI: 10.1016/j.ejmech.2017.03.079
More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(Homo sapiens (Human))
CHEMBL4104117
PNG
PDB
MMDB

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n/an/a 0.291n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL




J Med Chem 61: 905-917 (2018)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50241901
PNG
(CHEMBL4065026)
PDB
MMDB

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n/an/a 0.530n/an/an/an/an/an/a



Taipei Medical University (TMU)

Curated by ChEMBL




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


Article DOI: 10.1016/j.ejmech.2017.03.079
More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(Homo sapiens (Human))
CHEMBL4095667
PNG
PDB
MMDB

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n/an/a 0.795n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL




J Med Chem 61: 905-917 (2018)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50241906
PNG
(CHEMBL4069853)
PDB
MMDB

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n/an/a 0.900n/an/an/an/an/an/a



Taipei Medical University (TMU)

Curated by ChEMBL




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


Article DOI: 10.1016/j.ejmech.2017.03.079
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+
PDB
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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)
PDB
MMDB

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n/an/a 1.10n/an/an/an/an/an/a



Taipei Medical University (TMU)

Curated by ChEMBL




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


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


(Homo sapiens (Human))
BDBM50241906
PNG
(CHEMBL4069853)
PDB
MMDB

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n/an/a 1.30n/an/an/an/an/an/a



Taipei Medical University (TMU)

Curated by ChEMBL




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


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


(Homo sapiens (Human))
BDBM50241901
PNG
(CHEMBL4065026)
PDB
MMDB

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n/an/a 1.30n/an/an/an/an/an/a



Taipei Medical University (TMU)

Curated by ChEMBL




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


Article DOI: 10.1016/j.ejmech.2017.03.079
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
Histone deacetylase 1/6


(Homo sapiens (Human))
CHEMBL4091237
PNG
PDB
MMDB

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n/an/a 2.30n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL




J Med Chem 61: 905-917 (2018)

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 1/6


(Homo sapiens (Human))
CHEMBL4063376
PNG
PDB
MMDB

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n/an/a 2.30n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL




J Med Chem 61: 905-917 (2018)

More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(Homo sapiens (Human))
CHEMBL4098833
PNG
PDB
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n/an/a 2.80n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL




J Med Chem 61: 905-917 (2018)

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 1/6


(Homo sapiens (Human))
CHEMBL4079874
PNG
PDB
MMDB

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n/an/a 3.30n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL




J Med Chem 61: 905-917 (2018)

More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(Homo sapiens (Human))
CHEMBL4085971
PNG
PDB
MMDB

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n/an/a 3.40n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL




J Med Chem 61: 905-917 (2018)

More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(Homo sapiens (Human))
CHEMBL4101436
PNG
PDB
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n/an/a 3.60n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL




J Med Chem 61: 905-917 (2018)

More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(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




J Med Chem 61: 905-917 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 1/6


(Homo sapiens (Human))
CHEMBL4073165
PNG
PDB
MMDB

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n/an/a 4.20n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL




J Med Chem 61: 905-917 (2018)

More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(Homo sapiens (Human))
BDBM50439674
PNG
(RICOLINOSTAT | US8609678, 2-(diphenylamino)-N-(7-(...)
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




J Med Chem 61: 905-917 (2018)

More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(Homo sapiens (Human))
CHEMBL4068310
PNG
PDB
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n/an/a 4.80n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL




J Med Chem 61: 905-917 (2018)

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
PDB
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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
PDB
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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 1/6


(Homo sapiens (Human))
CHEMBL4083449
PNG
PDB
MMDB

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n/an/a 5.90n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL




J Med Chem 61: 905-917 (2018)

More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(Homo sapiens (Human))
BDBM50241901
PNG
(CHEMBL4065026)
PDB
MMDB

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n/an/a 6.80n/an/an/an/an/an/a



Taipei Medical University (TMU)

Curated by ChEMBL




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


Article DOI: 10.1016/j.ejmech.2017.03.079
More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(Homo sapiens (Human))
CHEMBL4093020
PNG
PDB
MMDB

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n/an/a 7.40n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL




J Med Chem 61: 905-917 (2018)

More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(Homo sapiens (Human))
BDBM50241906
PNG
(CHEMBL4069853)
PDB
MMDB

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n/an/a 8.30n/an/an/an/an/an/a



Taipei Medical University (TMU)

Curated by ChEMBL




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


Article DOI: 10.1016/j.ejmech.2017.03.079
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
Histone deacetylase 1/6


(Homo sapiens (Human))
CHEMBL4080790
PNG
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n/an/a 9.5n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL




J Med Chem 61: 905-917 (2018)

More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(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




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


Article DOI: 10.1016/j.ejmech.2017.03.079
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
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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 1/6


(Homo sapiens (Human))
CHEMBL4064437
PNG
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n/an/a 11n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL




J Med Chem 61: 905-917 (2018)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(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 12.3n/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
Histone deacetylase 1/6


(Homo sapiens (Human))
BDBM50241905
PNG
(CHEMBL4080164)
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n/an/a 14n/an/an/an/an/an/a



Taipei Medical University (TMU)

Curated by ChEMBL




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


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


(Homo sapiens (Human))
BDBM50202000
PNG
(CHEMBL3973951)
Show SMILES ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)c1ccc2ccccc2n1
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n/an/a 14n/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 2


(Homo sapiens (Human))
BDBM50201999
PNG
(CHEMBL3925939)
Show SMILES ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)c1ccc2cccc(F)c2n1
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n/an/a 15n/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))
BDBM50202000
PNG
(CHEMBL3973951)
Show SMILES ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)c1ccc2ccccc2n1
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n/an/a 15n/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 1


(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 18.1n/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
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50386661
PNG
(CHEMBL2048752)
Show SMILES ONC(=O)\C=C\c1ccc2n(ccc2c1)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C17H13N3O6S/c21-17(18-22)8-2-12-1-7-16-13(11-12)9-10-19(16)27(25,26)15-5-3-14(4-6-15)20(23)24/h1-11,22H,(H,18,21)/b8-2+
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n/an/a 18.3n/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))
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 20n/an/an/an/an/an/a



Taipei Medical University (TMU)

Curated by ChEMBL




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


Article DOI: 10.1016/j.ejmech.2017.03.079
More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(Homo sapiens (Human))
CHEMBL4082487
PNG
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n/an/a 20n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL




J Med Chem 61: 905-917 (2018)

More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(Homo sapiens (Human))
CHEMBL4083577
PNG
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n/an/a 22n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL




J Med Chem 61: 905-917 (2018)

More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(Homo sapiens (Human))
CHEMBL4069121
PNG
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n/an/a 25n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL




J Med Chem 61: 905-917 (2018)

More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(Homo sapiens (Human))
CHEMBL4060607
PNG
PDB
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n/an/a 25n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL




J Med Chem 61: 905-917 (2018)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50386660
PNG
(CHEMBL2048751)
Show SMILES ONC(=O)\C=C\c1ccc2n(ccc2c1)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C17H13FN2O4S/c18-14-3-5-15(6-4-14)25(23,24)20-10-9-13-11-12(1-7-16(13)20)2-8-17(21)19-22/h1-11,22H,(H,19,21)/b8-2+
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n/an/a 33.2n/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
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50145168
PNG
(CHEMBL3764319)
Show SMILES CC(=O)N1CCc2cc(ccc12)S(=O)(=O)NNc1ccc(Br)cc1
Show InChI InChI=1S/C16H16BrN3O3S/c1-11(21)20-9-8-12-10-15(6-7-16(12)20)24(22,23)19-18-14-4-2-13(17)3-5-14/h2-7,10,18-19H,8-9H2,1H3
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n/an/a 35n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human Indoleamine 2,3-dioxygenase using L-tryptophan as substrate by emission fluorescence analysis


J Med Chem 59: 419-30 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3V69
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50145157
PNG
(CHEMBL3763166)
Show SMILES Brc1ccc(NNS(=O)(=O)c2ccc3NC(=O)Cc3c2)cc1
Show InChI InChI=1S/C14H12BrN3O3S/c15-10-1-3-11(4-2-10)17-18-22(20,21)12-5-6-13-9(7-12)8-14(19)16-13/h1-7,17-18H,8H2,(H,16,19)
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n/an/a 36n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human Indoleamine 2,3-dioxygenase using L-tryptophan as substrate by emission fluorescence analysis


J Med Chem 59: 419-30 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3V69
More data for this
Ligand-Target Pair
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