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Compile Data Set for Download or QSAR

Found 135 hits with Last Name = 'yang' and Initial = 'cr'   
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 1/6


(Homo sapiens (Human))
BDBM50247556
PNG
(CHEMBL4104117)
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 1/6


(Homo sapiens (Human))
BDBM50247553
PNG
(CHEMBL4095667)
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 5


(Homo sapiens (Human))
BDBM50259808
PNG
(CHEMBL4093691)
Show InChI InChI=1S/C27H26N2O7/c1-33-19-9-10-20-21(25(30)18-11-23(34-2)26(36-4)24(12-18)35-3)15-29(22(20)13-19)14-16-5-7-17(8-6-16)27(31)28-32/h5-13,15,32H,14H2,1-4H3,(H,28,31)
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n/an/a 1n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL




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


Article DOI: 10.1016/j.ejmech.2016.11.033
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50446481
PNG
(CHEMBL3110004)
Show SMILES FC(F)(F)c1nc(no1)-c1cccc(c1)C(=O)NCC1(CCOCC1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C25H21F3N4O3S/c26-25(27,28)22-31-20(32-35-22)17-7-4-8-18(13-17)21(33)29-15-24(9-11-34-12-10-24)23-30-19(14-36-23)16-5-2-1-3-6-16/h1-8,13-14H,9-12,15H2,(H,29,33)
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n/an/a 1.10n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL




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


Article DOI: 10.1016/j.ejmech.2016.11.033
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50446481
PNG
(CHEMBL3110004)
Show SMILES FC(F)(F)c1nc(no1)-c1cccc(c1)C(=O)NCC1(CCOCC1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C25H21F3N4O3S/c26-25(27,28)22-31-20(32-35-22)17-7-4-8-18(13-17)21(33)29-15-24(9-11-34-12-10-24)23-30-19(14-36-23)16-5-2-1-3-6-16/h1-8,13-14H,9-12,15H2,(H,29,33)
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n/an/a 1.30n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL




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


Article DOI: 10.1016/j.ejmech.2016.11.033
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50259807
PNG
(CHEMBL4081822)
Show InChI InChI=1S/C28H26N2O9S/c1-36-19-9-10-21-22(27(32)18-13-24(37-2)28(39-4)25(14-18)38-3)16-30(23(21)15-19)40(34,35)20-7-5-6-17(12-20)8-11-26(31)29-33/h5-16,33H,1-4H3,(H,29,31)/b11-8+
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n/an/a 1.60n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL




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


Article DOI: 10.1016/j.ejmech.2016.11.033
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50259808
PNG
(CHEMBL4093691)
Show InChI InChI=1S/C27H26N2O7/c1-33-19-9-10-20-21(25(30)18-11-23(34-2)26(36-4)24(12-18)35-3)15-29(22(20)13-19)14-16-5-7-17(8-6-16)27(31)28-32/h5-13,15,32H,14H2,1-4H3,(H,28,31)
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n/an/a 1.70n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL




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


Article DOI: 10.1016/j.ejmech.2016.11.033
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50446481
PNG
(CHEMBL3110004)
Show SMILES FC(F)(F)c1nc(no1)-c1cccc(c1)C(=O)NCC1(CCOCC1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C25H21F3N4O3S/c26-25(27,28)22-31-20(32-35-22)17-7-4-8-18(13-17)21(33)29-15-24(9-11-34-12-10-24)23-30-19(14-36-23)16-5-2-1-3-6-16/h1-8,13-14H,9-12,15H2,(H,29,33)
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n/an/a 1.90n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL




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


Article DOI: 10.1016/j.ejmech.2016.11.033
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50259808
PNG
(CHEMBL4093691)
Show InChI InChI=1S/C27H26N2O7/c1-33-19-9-10-20-21(25(30)18-11-23(34-2)26(36-4)24(12-18)35-3)15-29(22(20)13-19)14-16-5-7-17(8-6-16)27(31)28-32/h5-13,15,32H,14H2,1-4H3,(H,28,31)
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n/an/a 2n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL




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


Article DOI: 10.1016/j.ejmech.2016.11.033
More data for this
Ligand-Target Pair
Histone deacetylase 2


(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 2.10n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL




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


Article DOI: 10.1016/j.ejmech.2016.11.033
More data for this
Ligand-Target Pair
Histone deacetylase 11


(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 2.10n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL




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


Article DOI: 10.1016/j.ejmech.2016.11.033
More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(Homo sapiens (Human))
BDBM50247560
PNG
(CHEMBL4063376)
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))
BDBM50247580
PNG
(CHEMBL4091237)
PDB
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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 5


(Homo sapiens (Human))
BDBM50446481
PNG
(CHEMBL3110004)
Show SMILES FC(F)(F)c1nc(no1)-c1cccc(c1)C(=O)NCC1(CCOCC1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C25H21F3N4O3S/c26-25(27,28)22-31-20(32-35-22)17-7-4-8-18(13-17)21(33)29-15-24(9-11-34-12-10-24)23-30-19(14-36-23)16-5-2-1-3-6-16/h1-8,13-14H,9-12,15H2,(H,29,33)
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n/an/a 2.60n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL




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


Article DOI: 10.1016/j.ejmech.2016.11.033
More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(Homo sapiens (Human))
BDBM50247582
PNG
(CHEMBL4098833)
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


(Homo sapiens (Human))
BDBM50056985
PNG
(CHEMBL3329991)
Show SMILES Cc1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C20H21N3O4S/c1-14-17(18-4-2-3-5-19(18)22-14)12-13-21-28(26,27)16-9-6-15(7-10-16)8-11-20(24)23-25/h2-11,21-22,25H,12-13H2,1H3,(H,23,24)/b11-8+
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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 HDAC in human HeLa cells nuclear extracts incubated for 30 mins by fluorescent assay


Eur J Med Chem 85: 468-79 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.020
BindingDB Entry DOI: 10.7270/Q2NK3GQQ
More data for this
Ligand-Target Pair
Histone deacetylase 8


(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 3.10n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL




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


Article DOI: 10.1016/j.ejmech.2016.11.033
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 1/6


(Homo sapiens (Human))
BDBM50247570
PNG
(CHEMBL4079874)
PDB
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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


(Homo sapiens (Human))
BDBM50056984
PNG
(CHEMBL3329990)
Show SMILES Cc1c(CCNS(=O)(=O)c2ccc(\C=C\C(=O)NO)cc2)c2ccccc2n1C
Show InChI InChI=1S/C21H23N3O4S/c1-15-18(19-5-3-4-6-20(19)24(15)2)13-14-22-29(27,28)17-10-7-16(8-11-17)9-12-21(25)23-26/h3-12,22,26H,13-14H2,1-2H3,(H,23,25)/b12-9+
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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 HDAC in human HeLa cells nuclear extracts incubated for 30 mins by fluorescent assay


Eur J Med Chem 85: 468-79 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.020
BindingDB Entry DOI: 10.7270/Q2NK3GQQ
More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(Homo sapiens (Human))
BDBM50247561
PNG
(CHEMBL4085971)
PDB
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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


(Homo sapiens (Human))
BDBM50056983
PNG
(CHEMBL3329992)
Show SMILES CCn1c(C)c(CCNS(=O)(=O)c2ccc(\C=C\C(=O)NO)cc2)c2ccccc12
Show InChI InChI=1S/C22H25N3O4S/c1-3-25-16(2)19(20-6-4-5-7-21(20)25)14-15-23-30(28,29)18-11-8-17(9-12-18)10-13-22(26)24-27/h4-13,23,27H,3,14-15H2,1-2H3,(H,24,26)/b13-10+
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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 HDAC in human HeLa cells nuclear extracts incubated for 30 mins by fluorescent assay


Eur J Med Chem 85: 468-79 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.020
BindingDB Entry DOI: 10.7270/Q2NK3GQQ
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 5


(Homo sapiens (Human))
BDBM50259807
PNG
(CHEMBL4081822)
Show InChI InChI=1S/C28H26N2O9S/c1-36-19-9-10-21-22(27(32)18-13-24(37-2)28(39-4)25(14-18)38-3)16-30(23(21)15-19)40(34,35)20-7-5-6-17(12-20)8-11-26(31)29-33/h5-16,33H,1-4H3,(H,29,31)/b11-8+
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n/an/a 3.60n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL




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


Article DOI: 10.1016/j.ejmech.2016.11.033
More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(Homo sapiens (Human))
BDBM50247592
PNG
(CHEMBL4101436)
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 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 3.80n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL




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


Article DOI: 10.1016/j.ejmech.2016.11.033
More data for this
Ligand-Target Pair
Histone deacetylase


(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 3.80n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL




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


Article DOI: 10.1016/j.ejmech.2016.11.033
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50259808
PNG
(CHEMBL4093691)
Show InChI InChI=1S/C27H26N2O7/c1-33-19-9-10-20-21(25(30)18-11-23(34-2)26(36-4)24(12-18)35-3)15-29(22(20)13-19)14-16-5-7-17(8-6-16)27(31)28-32/h5-13,15,32H,14H2,1-4H3,(H,28,31)
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n/an/a 3.90n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL




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


Article DOI: 10.1016/j.ejmech.2016.11.033
More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(Homo sapiens (Human))
BDBM50247579
PNG
(CHEMBL4073165)
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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))
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




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


Article DOI: 10.1016/j.ejmech.2016.11.033
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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))
BDBM50247571
PNG
(CHEMBL4068310)
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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


(Homo sapiens (Human))
BDBM50056975
PNG
(CHEMBL3329999)
Show SMILES Cn1cc(CCNS(=O)(=O)c2ccc(\C=C\C(=O)NO)cc2)c2ccccc12
Show InChI InChI=1S/C20H21N3O4S/c1-23-14-16(18-4-2-3-5-19(18)23)12-13-21-28(26,27)17-9-6-15(7-10-17)8-11-20(24)22-25/h2-11,14,21,25H,12-13H2,1H3,(H,22,24)/b11-8+
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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 HDAC in human HeLa cells nuclear extracts incubated for 30 mins by fluorescent assay


Eur J Med Chem 85: 468-79 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.020
BindingDB Entry DOI: 10.7270/Q2NK3GQQ
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
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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
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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))
BDBM50247559
PNG
(CHEMBL4083449)
PDB
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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 11


(Homo sapiens (Human))
BDBM50259808
PNG
(CHEMBL4093691)
Show InChI InChI=1S/C27H26N2O7/c1-33-19-9-10-20-21(25(30)18-11-23(34-2)26(36-4)24(12-18)35-3)15-29(22(20)13-19)14-16-5-7-17(8-6-16)27(31)28-32/h5-13,15,32H,14H2,1-4H3,(H,28,31)
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n/an/a 6.5n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL




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


Article DOI: 10.1016/j.ejmech.2016.11.033
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50259808
PNG
(CHEMBL4093691)
Show InChI InChI=1S/C27H26N2O7/c1-33-19-9-10-20-21(25(30)18-11-23(34-2)26(36-4)24(12-18)35-3)15-29(22(20)13-19)14-16-5-7-17(8-6-16)27(31)28-32/h5-13,15,32H,14H2,1-4H3,(H,28,31)
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n/an/a 6.5n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL




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


Article DOI: 10.1016/j.ejmech.2016.11.033
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50056974
PNG
(CHEMBL3329998)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)S(=O)(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C19H19N3O4S/c23-19(22-24)10-7-14-5-8-16(9-6-14)27(25,26)21-12-11-15-13-20-18-4-2-1-3-17(15)18/h1-10,13,20-21,24H,11-12H2,(H,22,23)/b10-7+
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n/an/a 6.60n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extracts incubated for 30 mins by fluorescent assay


Eur J Med Chem 85: 468-79 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.020
BindingDB Entry DOI: 10.7270/Q2NK3GQQ
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




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


Article DOI: 10.1016/j.ejmech.2016.11.033
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50056982
PNG
(CHEMBL3329994)
Show SMILES CCN(CC)CCn1c(C)c(CCNS(=O)(=O)c2ccc(\C=C\C(=O)NO)cc2)c2ccccc12
Show InChI InChI=1S/C26H34N4O4S/c1-4-29(5-2)18-19-30-20(3)23(24-8-6-7-9-25(24)30)16-17-27-35(33,34)22-13-10-21(11-14-22)12-15-26(31)28-32/h6-15,27,32H,4-5,16-19H2,1-3H3,(H,28,31)/b15-12+
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n/an/a 7.30n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extracts incubated for 30 mins by fluorescent assay


Eur J Med Chem 85: 468-79 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.020
BindingDB Entry DOI: 10.7270/Q2NK3GQQ
More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(Homo sapiens (Human))
BDBM50247564
PNG
(CHEMBL4093020)
PDB
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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


(Homo sapiens (Human))
BDBM50056978
PNG
(CHEMBL3330002)
Show SMILES Cl.Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\CNO)cc1
Show InChI InChI=1S/C21H25N3O/c1-16-19(20-6-2-3-7-21(20)24-16)12-14-22-15-18-10-8-17(9-11-18)5-4-13-23-25/h2-11,22-25H,12-15H2,1H3/b5-4+
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n/an/a 7.5n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extracts incubated for 30 mins by fluorescent assay


Eur J Med Chem 85: 468-79 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.020
BindingDB Entry DOI: 10.7270/Q2NK3GQQ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50056986
PNG
(CHEMBL3329993)
Show SMILES Cc1[nH]c2ccccc2c1CCNS(=O)(=O)c1cccc(\C=C\C(=O)NO)c1
Show InChI InChI=1S/C20H21N3O4S/c1-14-17(18-7-2-3-8-19(18)22-14)11-12-21-28(26,27)16-6-4-5-15(13-16)9-10-20(24)23-25/h2-10,13,21-22,25H,11-12H2,1H3,(H,23,24)/b10-9+
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n/an/a 7.90n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extracts incubated for 30 mins by fluorescent assay


Eur J Med Chem 85: 468-79 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.020
BindingDB Entry DOI: 10.7270/Q2NK3GQQ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50259808
PNG
(CHEMBL4093691)
Show InChI InChI=1S/C27H26N2O7/c1-33-19-9-10-20-21(25(30)18-11-23(34-2)26(36-4)24(12-18)35-3)15-29(22(20)13-19)14-16-5-7-17(8-6-16)27(31)28-32/h5-13,15,32H,14H2,1-4H3,(H,28,31)
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n/an/a 8.20n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL




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


Article DOI: 10.1016/j.ejmech.2016.11.033
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50259807
PNG
(CHEMBL4081822)
Show InChI InChI=1S/C28H26N2O9S/c1-36-19-9-10-21-22(27(32)18-13-24(37-2)28(39-4)25(14-18)38-3)16-30(23(21)15-19)40(34,35)20-7-5-6-17(12-20)8-11-26(31)29-33/h5-16,33H,1-4H3,(H,29,31)/b11-8+
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n/an/a 8.90n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL




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


Article DOI: 10.1016/j.ejmech.2016.11.033
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50056979
PNG
(CHEMBL3329997)
Show SMILES CC(C)N(CCc1c(C)[nH]c2ccccc12)S(=O)(=O)c1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C23H27N3O4S/c1-16(2)26(15-14-20-17(3)24-22-7-5-4-6-21(20)22)31(29,30)19-11-8-18(9-12-19)10-13-23(27)25-28/h4-13,16,24,28H,14-15H2,1-3H3,(H,25,27)/b13-10+
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n/an/a 9.20n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extracts incubated for 30 mins by fluorescent assay


Eur J Med Chem 85: 468-79 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.020
BindingDB Entry DOI: 10.7270/Q2NK3GQQ
More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(Homo sapiens (Human))
BDBM50247566
PNG
(CHEMBL4080790)
PDB
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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 7


(Homo sapiens (Human))
BDBM50259808
PNG
(CHEMBL4093691)
Show InChI InChI=1S/C27H26N2O7/c1-33-19-9-10-20-21(25(30)18-11-23(34-2)26(36-4)24(12-18)35-3)15-29(22(20)13-19)14-16-5-7-17(8-6-16)27(31)28-32/h5-13,15,32H,14H2,1-4H3,(H,28,31)
PDB
MMDB

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Article
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n/an/a 9.60n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL




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


Article DOI: 10.1016/j.ejmech.2016.11.033
More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(Homo sapiens (Human))
BDBM50247562
PNG
(CHEMBL4064437)
PDB
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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 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
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