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PubMed code 18558669

Compile data set for download or QSAR
Found 119 hits of Enzyme Inhibition Constant Data   
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 6


(Homo sapiens (Human))
BDBM50252005
PNG
(2-(3-Benzoylamino-phenyl)-2-oxoethyl ethyl trithio...)
Show SMILES CCSC(=S)SCC(=O)c1cccc(NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C18H17NO2S3/c1-2-23-18(22)24-12-16(20)14-9-6-10-15(11-14)19-17(21)13-7-4-3-5-8-13/h3-11H,2,12H2,1H3,(H,19,21)
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110n/an/an/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells using variable substrate concentration by Lineweaver-Burk plot


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50252371
PNG
(CHEMBL520279 | Ethyl 2-oxo-2-[1-(phenyl-sulfonyl)-...)
Show SMILES CCSC(=S)SCC(=O)c1ccn(c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H15NO3S4/c1-2-21-15(20)22-11-14(17)12-8-9-16(10-12)23(18,19)13-6-4-3-5-7-13/h3-10H,2,11H2,1H3
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140n/an/an/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells using variable substrate concentration by Lineweaver-Burk plot


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50252319
PNG
(CHEMBL479602 | Ethyl 2-oxo-2-{5-[(2-Phenoxy-ethylc...)
Show SMILES CCSC(=S)SCC(=O)c1ccc(CC(=O)NCCOc2ccccc2)s1
Show InChI InChI=1S/C19H21NO3S4/c1-2-25-19(24)26-13-16(21)17-9-8-15(27-17)12-18(22)20-10-11-23-14-6-4-3-5-7-14/h3-9H,2,10-13H2,1H3,(H,20,22)
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460n/an/an/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells using variable substrate concentration by Lineweaver-Burk plot


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50217137
PNG
(CHEMBL388710 | Ethyl 2-(4-Methylphenyl)-2-oxoethyl...)
Show SMILES CCSC(=S)SCC(=O)c1ccc(C)cc1
Show InChI InChI=1S/C12H14OS3/c1-3-15-12(14)16-8-11(13)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3
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7.00E+3n/an/an/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells using variable substrate concentration by Lineweaver-Burk plot


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50251857
PNG
(CHEMBL481297 | N-Ethyl S-2-(4-acetamidophenyl)-2-o...)
Show SMILES CCNC(=S)SCC(=O)c1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C13H16N2O2S2/c1-3-14-13(18)19-8-12(17)10-4-6-11(7-5-10)15-9(2)16/h4-7H,3,8H2,1-2H3,(H,14,18)(H,15,16)
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n/an/a 18n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
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 19n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50252671
PNG
(2-(4-Acetamidophenyl)-2-oxoethyl dithiopropionate ...)
Show SMILES CCCC(=S)SCC(=O)c1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C14H17NO2S2/c1-3-4-14(18)19-9-13(17)11-5-7-12(8-6-11)15-10(2)16/h5-8H,3-4,9H2,1-2H3,(H,15,16)
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n/an/a 23n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
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 33n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50252056
PNG
(CHEMBL519134 | Ethyl 2-oxo-2-{3-[(pyridine-3-carbo...)
Show SMILES CCSC(=S)SCC(=O)c1cccc(NC(=O)c2cccnc2)c1
Show InChI InChI=1S/C17H16N2O2S3/c1-2-23-17(22)24-11-15(20)12-5-3-7-14(9-12)19-16(21)13-6-4-8-18-10-13/h3-10H,2,11H2,1H3,(H,19,21)
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n/an/a 38n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50252321
PNG
(2-(5-(5-Amino-pyrid-2-yl)-thieno-2-yl)-2-oxoethyl ...)
Show SMILES CCSC(=S)SCC(=O)c1ccc(s1)-c1ccc(N)cn1
Show InChI InChI=1S/C14H14N2OS4/c1-2-19-14(18)20-8-11(17)13-6-5-12(21-13)10-4-3-9(15)7-16-10/h3-7H,2,8,15H2,1H3
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n/an/a 43n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50252208
PNG
(2-(5-Benzylcarbamoyl-thiophen-2-yl)-2-oxoethyl eth...)
Show SMILES CCSC(=S)SCC(=O)c1ccc(s1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C17H17NO2S4/c1-2-22-17(21)23-11-13(19)14-8-9-15(24-14)16(20)18-10-12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3,(H,18,20)
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n/an/a 44n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50252005
PNG
(2-(3-Benzoylamino-phenyl)-2-oxoethyl ethyl trithio...)
Show SMILES CCSC(=S)SCC(=O)c1cccc(NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C18H17NO2S3/c1-2-23-18(22)24-12-16(20)14-9-6-10-15(11-14)19-17(21)13-7-4-3-5-8-13/h3-11H,2,12H2,1H3,(H,19,21)
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n/an/a 65n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50252058
PNG
(CHEMBL482096 | Ethyl 2-oxo-2-{3-[(quinoline-3-carb...)
Show SMILES CCSC(=S)SCC(=O)c1cccc(NC(=O)c2cnc3ccccc3c2)c1
Show InChI InChI=1S/C21H18N2O2S3/c1-2-27-21(26)28-13-19(24)15-7-5-8-17(11-15)23-20(25)16-10-14-6-3-4-9-18(14)22-12-16/h3-12H,2,13H2,1H3,(H,23,25)
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n/an/a 89n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50251856
PNG
(CHEMBL481136 | O-Ethyl S-2-(4-Acetamido-phenyl)-2-...)
Show SMILES CCOC(=S)SCC(=O)c1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C13H15NO3S2/c1-3-17-13(18)19-8-12(16)10-4-6-11(7-5-10)14-9(2)15/h4-7H,3,8H2,1-2H3,(H,14,15)
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n/an/a 90n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50252620
PNG
(CHEMBL487615 | N-Ethyl S-2-(4-Methoxy-phenyl)-2-ox...)
Show SMILES CCNC(=S)SCC(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C12H15NO2S2/c1-3-13-12(16)17-8-11(14)9-4-6-10(15-2)7-5-9/h4-7H,3,8H2,1-2H3,(H,13,16)
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n/an/a 94n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50252562
PNG
(2-[4-(2-Acetylamino-ethyl)-phenyl]-2-oxoethyl ethy...)
Show SMILES CCSC(=S)SCC(=O)c1ccc(CCNC(C)=O)cc1
Show InChI InChI=1S/C15H19NO2S3/c1-3-20-15(19)21-10-14(18)13-6-4-12(5-7-13)8-9-16-11(2)17/h4-7H,3,8-10H2,1-2H3,(H,16,17)
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n/an/a 102n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50252007
PNG
(2-(3-Benzenesulfonylamino-phenyl)-2-oxoethyl ethyl...)
Show SMILES CCSC(=S)SCC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C17H17NO3S4/c1-2-23-17(22)24-12-16(19)13-7-6-8-14(11-13)18-25(20,21)15-9-4-3-5-10-15/h3-11,18H,2,12H2,1H3
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n/an/a 104n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50252618
PNG
(2-(4-Methoxyphenyl)-2-oxoethyl Dithiobutyrate | CH...)
Show SMILES CCCC(=S)SCC(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C13H16O2S2/c1-3-4-13(16)17-9-12(14)10-5-7-11(15-2)8-6-10/h5-8H,3-4,9H2,1-2H3
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n/an/a 110n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50252318
PNG
(CHEMBL479601 | ethyl 2-(5-(2-(4-methoxyphenylamino...)
Show SMILES CCSC(=S)SCC(=O)c1ccc(CC(=O)Nc2ccc(OC)cc2)s1
Show InChI InChI=1S/C18H19NO3S4/c1-3-24-18(23)25-11-15(20)16-9-8-14(26-16)10-17(21)19-12-4-6-13(22-2)7-5-12/h4-9H,3,10-11H2,1-2H3,(H,19,21)
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n/an/a 116n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50252372
PNG
(CHEMBL482075 | Ethyl 2-oxo-2-{4-[(quinoline-3-carb...)
Show SMILES CCSC(=S)SCC(=O)c1ccc(NC(=O)c2cnc3ccccc3c2)cc1
Show InChI InChI=1S/C21H18N2O2S3/c1-2-27-21(26)28-13-19(24)14-7-9-17(10-8-14)23-20(25)16-11-15-5-3-4-6-18(15)22-12-16/h3-12H,2,13H2,1H3,(H,23,25)
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n/an/a 119n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50252667
PNG
(CHEMBL471044 | N-Ethyl S-2-(4-methoxy-phenyl)-2-ox...)
Show SMILES CCNC(=O)SCC(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C12H15NO3S/c1-3-13-12(15)17-8-11(14)9-4-6-10(16-2)7-5-9/h4-7H,3,8H2,1-2H3,(H,13,15)
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n/an/a 132n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50252247
PNG
(CHEMBL517997 | Ethyl 2-oxo-2-[5-((S)-1-phenyl-ethy...)
Show SMILES CCSC(=S)SCC(=O)c1ccc(s1)C(=O)N[C@@H](C)c1ccccc1 |r|
Show InChI InChI=1S/C18H19NO2S4/c1-3-23-18(22)24-11-14(20)15-9-10-16(25-15)17(21)19-12(2)13-7-5-4-6-8-13/h4-10,12H,3,11H2,1-2H3,(H,19,21)/t12-/m0/s1
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n/an/a 135n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50251857
PNG
(CHEMBL481297 | N-Ethyl S-2-(4-acetamidophenyl)-2-o...)
Show SMILES CCNC(=S)SCC(=O)c1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C13H16N2O2S2/c1-3-14-13(18)19-8-12(17)10-4-6-11(7-5-10)15-9(2)16/h4-7H,3,8H2,1-2H3,(H,14,18)(H,15,16)
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n/an/a 141n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50252671
PNG
(2-(4-Acetamidophenyl)-2-oxoethyl dithiopropionate ...)
Show SMILES CCCC(=S)SCC(=O)c1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C14H17NO2S2/c1-3-4-14(18)19-9-13(17)11-5-7-12(8-6-11)15-10(2)16/h5-8H,3-4,9H2,1-2H3,(H,15,16)
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Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50252248
PNG
(CHEMBL510856 | Ethyl 2-oxo-2-[5-((R)-1-Phenyl-ethy...)
Show SMILES CCCSC(=S)SCC(=O)c1ccc(s1)C(=O)N[C@H](C)c1ccccc1 |r|
Show InChI InChI=1S/C19H21NO2S4/c1-3-11-24-19(23)25-12-15(21)16-9-10-17(26-16)18(22)20-13(2)14-7-5-4-6-8-14/h4-10,13H,3,11-12H2,1-2H3,(H,20,22)/t13-/m1/s1
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n/an/a 165n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50252317
PNG
(2-[5-(4-Methoxy-benzylcarbamoyl-methyl)-thiophen-2...)
Show SMILES CCSC(=S)SCC(=O)c1ccc(CC(=O)NCc2ccc(OC)cc2)s1
Show InChI InChI=1S/C19H21NO3S4/c1-3-25-19(24)26-12-16(21)17-9-8-15(27-17)10-18(22)20-11-13-4-6-14(23-2)7-5-13/h4-9H,3,10-12H2,1-2H3,(H,20,22)
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n/an/a 175n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50252006
PNG
(CHEMBL482280 | Ethyl 2-oxo-2{-[(1-phenyl-methanoyl...)
Show SMILES CCSC(=S)SCC(=O)c1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C18H17NO2S3/c1-2-23-18(22)24-12-16(20)13-8-10-15(11-9-13)19-17(21)14-6-4-3-5-7-14/h3-11H,2,12H2,1H3,(H,19,21)
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n/an/a 175n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50241190
PNG
(2-(4-Acetylamino-phenyl)-2-oxoethyl Ethyl Trithioc...)
Show SMILES CCSC(=S)SCC(=O)c1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C13H15NO2S3/c1-3-18-13(17)19-8-12(16)10-4-6-11(7-5-10)14-9(2)15/h4-7H,3,8H2,1-2H3,(H,14,15)
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n/an/a 180n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50252206
PNG
(2-[3-(3-Aminocarbonyl-phenylsulfamoyl)-phenyl]-2-o...)
Show SMILES CCSC(=S)SCC(=O)c1cccc(c1)S(=O)(=O)Nc1cccc(c1)C(N)=O
Show InChI InChI=1S/C18H18N2O4S4/c1-2-26-18(25)27-11-16(21)12-5-4-8-15(10-12)28(23,24)20-14-7-3-6-13(9-14)17(19)22/h3-10,20H,2,11H2,1H3,(H2,19,22)
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Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50252059
PNG
(2-(3-Benzylcarbamoyl-phenyl)-2-oxoethyl Ethyl Trit...)
Show SMILES CCSC(=S)SCC(=O)c1cccc(c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C19H19NO2S3/c1-2-24-19(23)25-13-17(21)15-9-6-10-16(11-15)18(22)20-12-14-7-4-3-5-8-14/h3-11H,2,12-13H2,1H3,(H,20,22)
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n/an/a 195n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50252107
PNG
(CHEMBL482272 | Ethyl 2-oxo-2-[3-(2-phenoxy-ethylca...)
Show SMILES CCSC(=S)SCC(=O)c1cccc(c1)C(=O)NCCOc1ccccc1
Show InChI InChI=1S/C20H21NO3S3/c1-2-26-20(25)27-14-18(22)15-7-6-8-16(13-15)19(23)21-11-12-24-17-9-4-3-5-10-17/h3-10,13H,2,11-12,14H2,1H3,(H,21,23)
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Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50252319
PNG
(CHEMBL479602 | Ethyl 2-oxo-2-{5-[(2-Phenoxy-ethylc...)
Show SMILES CCSC(=S)SCC(=O)c1ccc(CC(=O)NCCOc2ccccc2)s1
Show InChI InChI=1S/C19H21NO3S4/c1-2-25-19(24)26-13-16(21)17-9-8-15(27-17)12-18(22)20-10-11-23-14-6-4-3-5-7-14/h3-9H,2,10-13H2,1H3,(H,20,22)
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Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50252620
PNG
(CHEMBL487615 | N-Ethyl S-2-(4-Methoxy-phenyl)-2-ox...)
Show SMILES CCNC(=S)SCC(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C12H15NO2S2/c1-3-13-12(16)17-8-11(14)9-4-6-10(15-2)7-5-9/h4-7H,3,8H2,1-2H3,(H,13,16)
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Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50252162
PNG
(CHEMBL518961 | Ethyl 2-[4-(4-methoxy-phenylsulfamo...)
Show SMILES CCSC(=S)SCC(=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(OC)cc1
Show InChI InChI=1S/C18H19NO4S4/c1-3-25-18(24)26-12-17(20)13-4-10-16(11-5-13)27(21,22)19-14-6-8-15(23-2)9-7-14/h4-11,19H,3,12H2,1-2H3
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Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50252162
PNG
(CHEMBL518961 | Ethyl 2-[4-(4-methoxy-phenylsulfamo...)
Show SMILES CCSC(=S)SCC(=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(OC)cc1
Show InChI InChI=1S/C18H19NO4S4/c1-3-25-18(24)26-12-17(20)13-4-10-16(11-5-13)27(21,22)19-14-6-8-15(23-2)9-7-14/h4-11,19H,3,12H2,1-2H3
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Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50252250
PNG
(CHEMBL479970 | Ethyl 2-oxo-2-(5-phenylcarbamoyl-th...)
Show SMILES CCSC(=S)SCC(=O)c1ccc(s1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C16H15NO2S4/c1-2-21-16(20)22-10-12(18)13-8-9-14(23-13)15(19)17-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,17,19)
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Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50252251
PNG
(2-[5-(Benzylcarbamoyl-methyl)-thiophen-2-yl]-2-oxo...)
Show SMILES CCSC(=S)SCC(=O)c1ccc(CC(=O)NCc2ccccc2)s1
Show InChI InChI=1S/C18H19NO2S4/c1-2-23-18(22)24-12-15(20)16-9-8-14(25-16)10-17(21)19-11-13-6-4-3-5-7-13/h3-9H,2,10-12H2,1H3,(H,19,21)
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Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50252318
PNG
(CHEMBL479601 | ethyl 2-(5-(2-(4-methoxyphenylamino...)
Show SMILES CCSC(=S)SCC(=O)c1ccc(CC(=O)Nc2ccc(OC)cc2)s1
Show InChI InChI=1S/C18H19NO3S4/c1-3-24-18(23)25-11-15(20)16-9-8-14(26-16)10-17(21)19-12-4-6-13(22-2)7-5-12/h4-9H,3,10-11H2,1-2H3,(H,19,21)
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Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50251860
PNG
(2-[4-(N-Acetyl-N-methylamino-methyl)-phenyl]-2-oxo...)
Show SMILES CCSC(=S)SCC(=O)c1ccc(CN(C)C(C)=O)cc1
Show InChI InChI=1S/C15H19NO2S3/c1-4-20-15(19)21-10-14(18)13-7-5-12(6-8-13)9-16(3)11(2)17/h5-8H,4,9-10H2,1-3H3
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Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50252106
PNG
(CHEMBL482271 | Ethyl 2-oxo-2-(4-{[(1-phenyl-methan...)
Show SMILES CCSC(=S)SCC(=O)c1ccc(CNC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C19H19NO2S3/c1-2-24-19(23)25-13-17(21)15-10-8-14(9-11-15)12-20-18(22)16-6-4-3-5-7-16/h3-11H,2,12-13H2,1H3,(H,20,22)
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Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50252107
PNG
(CHEMBL482272 | Ethyl 2-oxo-2-[3-(2-phenoxy-ethylca...)
Show SMILES CCSC(=S)SCC(=O)c1cccc(c1)C(=O)NCCOc1ccccc1
Show InChI InChI=1S/C20H21NO3S3/c1-2-26-20(25)27-14-18(22)15-7-6-8-16(13-15)19(23)21-11-12-24-17-9-4-3-5-10-17/h3-10,13H,2,11-12,14H2,1H3,(H,21,23)
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n/an/a 328n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50241189
PNG
(2-(3-Acetylamino-phenyl)-2-oxoethyl Ethyl Trithioc...)
Show SMILES CCSC(=S)SCC(=O)c1cccc(NC(C)=O)c1
Show InChI InChI=1S/C13H15NO2S3/c1-3-18-13(17)19-8-12(16)10-5-4-6-11(7-10)14-9(2)15/h4-7H,3,8H2,1-2H3,(H,14,15)
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n/an/a 329n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50252159
PNG
(2-[4-(4-Chloro-phenylsulfamoyl)-phenyl]-2-oxoethyl...)
Show SMILES CCSC(=S)SCC(=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C17H16ClNO3S4/c1-2-24-17(23)25-11-16(20)12-3-9-15(10-4-12)26(21,22)19-14-7-5-13(18)6-8-14/h3-10,19H,2,11H2,1H3
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n/an/a 340n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50252208
PNG
(2-(5-Benzylcarbamoyl-thiophen-2-yl)-2-oxoethyl eth...)
Show SMILES CCSC(=S)SCC(=O)c1ccc(s1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C17H17NO2S4/c1-2-22-17(21)23-11-13(19)14-8-9-15(24-14)16(20)18-10-12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3,(H,18,20)
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n/an/a 340n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50251859
PNG
(2-[4-(Acetylamino-methyl)-phenyl]-2-oxoethyl Ethyl...)
Show SMILES CCSC(=S)SCC(=O)c1ccc(CNC(C)=O)cc1
Show InChI InChI=1S/C14H17NO2S3/c1-3-19-14(18)20-9-13(17)12-6-4-11(5-7-12)8-15-10(2)16/h4-7H,3,8-9H2,1-2H3,(H,15,16)
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n/an/a 346n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50252667
PNG
(CHEMBL471044 | N-Ethyl S-2-(4-methoxy-phenyl)-2-ox...)
Show SMILES CCNC(=O)SCC(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C12H15NO3S/c1-3-13-12(15)17-8-11(14)9-4-6-10(16-2)7-5-9/h4-7H,3,8H2,1-2H3,(H,13,15)
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Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50252008
PNG
(2-(4-Benzenesulfonylamino-phenyl)-2-oxoethyl ethyl...)
Show SMILES CCSC(=S)SCC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C17H17NO3S4/c1-2-23-17(22)24-12-16(19)13-8-10-14(11-9-13)18-25(20,21)15-6-4-3-5-7-15/h3-11,18H,2,12H2,1H3
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n/an/a 382n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50252319
PNG
(CHEMBL479602 | Ethyl 2-oxo-2-{5-[(2-Phenoxy-ethylc...)
Show SMILES CCSC(=S)SCC(=O)c1ccc(CC(=O)NCCOc2ccccc2)s1
Show InChI InChI=1S/C19H21NO3S4/c1-2-25-19(24)26-13-16(21)17-9-8-15(27-17)12-18(22)20-10-11-23-14-6-4-3-5-7-14/h3-9H,2,10-13H2,1H3,(H,20,22)
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n/an/a 385n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50252056
PNG
(CHEMBL519134 | Ethyl 2-oxo-2-{3-[(pyridine-3-carbo...)
Show SMILES CCSC(=S)SCC(=O)c1cccc(NC(=O)c2cccnc2)c1
Show InChI InChI=1S/C17H16N2O2S3/c1-2-23-17(22)24-11-15(20)12-5-3-7-14(9-12)19-16(21)13-6-4-8-18-10-13/h3-10H,2,11H2,1H3,(H,19,21)
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n/an/a 388n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50252055
PNG
(CHEMBL482094 | Ethyl 2-oxo-2-[4-(quinazolin-4-ylam...)
Show SMILES CCSC(=S)SCC(=O)c1ccc(Nc2ncnc3ccccc23)cc1
Show InChI InChI=1S/C19H17N3OS3/c1-2-25-19(24)26-11-17(23)13-7-9-14(10-8-13)22-18-15-5-3-4-6-16(15)20-12-21-18/h3-10,12H,2,11H2,1H3,(H,20,21,22)
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n/an/a 390n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50252249
PNG
(2-[5-(3,5-Dimethyl-benzylcarbamoyl)-thiophen-2-yl]...)
Show SMILES CCSC(=S)SCC(=O)c1ccc(s1)C(=O)NCc1cc(C)cc(C)c1
Show InChI InChI=1S/C19H21NO2S4/c1-4-24-19(23)25-11-15(21)16-5-6-17(26-16)18(22)20-10-14-8-12(2)7-13(3)9-14/h5-9H,4,10-11H2,1-3H3,(H,20,22)
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n/an/a 396n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50252057
PNG
(CHEMBL482095 | Ethyl 2-oxo-2-{4-[(1-pyridine-3-yl-...)
Show SMILES CCSC(=S)SCC(=O)c1ccc(NC(=O)c2cccnc2)cc1
Show InChI InChI=1S/C17H16N2O2S3/c1-2-23-17(22)24-11-15(20)12-5-7-14(8-6-12)19-16(21)13-4-3-9-18-10-13/h3-10H,2,11H2,1H3,(H,19,21)
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n/an/a 421n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50252618
PNG
(2-(4-Methoxyphenyl)-2-oxoethyl Dithiobutyrate | CH...)
Show SMILES CCCC(=S)SCC(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C13H16O2S2/c1-3-4-13(16)17-9-12(14)10-5-7-11(15-2)8-6-10/h5-8H,3-4,9H2,1-2H3
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n/an/a 422n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50252207
PNG
(2-[4-(3-Benzodioxyl-sulfamoyl)-phenyl]-2-oxoethyl ...)
Show SMILES CCSC(=S)SCC(=O)c1cccc(c1)S(=O)(=O)Nc1ccc2OCOc2c1
Show InChI InChI=1S/C18H17NO5S4/c1-2-26-18(25)27-10-15(20)12-4-3-5-14(8-12)28(21,22)19-13-6-7-16-17(9-13)24-11-23-16/h3-9,19H,2,10-11H2,1H3
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n/an/a 431n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50252320
PNG
(2-(5-{5-[(3-Amino-quinolinyl)-methyl]-pyridin-2-yl...)
Show SMILES CCSC(=S)SCC(=O)c1ccc(s1)-c1ccc(CNc2cnc3ccccc3c2)cn1
Show InChI InChI=1S/C24H21N3OS4/c1-2-30-24(29)31-15-21(28)23-10-9-22(32-23)20-8-7-16(13-26-20)12-25-18-11-17-5-3-4-6-19(17)27-14-18/h3-11,13-14,25H,2,12,15H2,1H3
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n/an/a 438n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50252619
PNG
(CHEMBL493249 | O-Ethyl S-2-(4-methoxy-phenyl)-2-ox...)
Show SMILES CCOC(=S)SCC(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C12H14O3S2/c1-3-15-12(16)17-8-11(13)9-4-6-10(14-2)7-5-9/h4-7H,3,8H2,1-2H3
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n/an/a 448n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50252108
PNG
(CHEMBL480973 | Ethyl 2-oxo-2-[4-(2-phenoxy-ethylca...)
Show SMILES CCSC(=S)SCC(=O)c1ccc(cc1)C(=O)NCCOc1ccccc1
Show InChI InChI=1S/C20H21NO3S3/c1-2-26-20(25)27-14-18(22)15-8-10-16(11-9-15)19(23)21-12-13-24-17-6-4-3-5-7-17/h3-11H,2,12-14H2,1H3,(H,21,23)
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n/an/a 483n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50252247
PNG
(CHEMBL517997 | Ethyl 2-oxo-2-[5-((S)-1-phenyl-ethy...)
Show SMILES CCSC(=S)SCC(=O)c1ccc(s1)C(=O)N[C@@H](C)c1ccccc1 |r|
Show InChI InChI=1S/C18H19NO2S4/c1-3-23-18(22)24-11-14(20)15-9-10-16(25-15)17(21)19-12(2)13-7-5-4-6-8-13/h4-10,12H,3,11H2,1-2H3,(H,19,21)/t12-/m0/s1
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n/an/a 497n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50252207
PNG
(2-[4-(3-Benzodioxyl-sulfamoyl)-phenyl]-2-oxoethyl ...)
Show SMILES CCSC(=S)SCC(=O)c1cccc(c1)S(=O)(=O)Nc1ccc2OCOc2c1
Show InChI InChI=1S/C18H17NO5S4/c1-2-26-18(25)27-10-15(20)12-4-3-5-14(8-12)28(21,22)19-13-6-7-16-17(9-13)24-11-23-16/h3-9,19H,2,10-11H2,1H3
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n/an/a 501n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50251899
PNG
(CHEMBL481922 | Ethyl 2-oxo-2-(3-Phenylcarbamoyl-ph...)
Show SMILES CCSC(=S)SCC(=O)c1cccc(c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H17NO2S3/c1-2-23-18(22)24-12-16(20)13-7-6-8-14(11-13)17(21)19-15-9-4-3-5-10-15/h3-11H,2,12H2,1H3,(H,19,21)
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n/an/a 517n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50252204
PNG
(CHEMBL481148 | Ethyl 2-[3-(4-methoxy-phenylsulfamo...)
Show SMILES CCSC(=S)SCC(=O)c1cccc(c1)S(=O)(=O)Nc1ccc(OC)cc1
Show InChI InChI=1S/C18H19NO4S4/c1-3-25-18(24)26-12-17(20)13-5-4-6-16(11-13)27(21,22)19-14-7-9-15(23-2)10-8-14/h4-11,19H,3,12H2,1-2H3
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n/an/a 519n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50252004
PNG
(CHEMBL517076 | Ethyl 2-oxo-2-(4-Phenylcarbamoyl-ph...)
Show SMILES CCSC(=S)SCC(=O)c1ccc(cc1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H17NO2S3/c1-2-23-18(22)24-12-16(20)13-8-10-14(11-9-13)17(21)19-15-6-4-3-5-7-15/h3-11H,2,12H2,1H3,(H,19,21)
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n/an/a 521n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50252106
PNG
(CHEMBL482271 | Ethyl 2-oxo-2-(4-{[(1-phenyl-methan...)
Show SMILES CCSC(=S)SCC(=O)c1ccc(CNC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C19H19NO2S3/c1-2-24-19(23)25-13-17(21)15-10-8-14(9-11-15)12-20-18(22)16-6-4-3-5-7-16/h3-11H,2,12-13H2,1H3,(H,20,22)
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n/an/a 523n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50252204
PNG
(CHEMBL481148 | Ethyl 2-[3-(4-methoxy-phenylsulfamo...)
Show SMILES CCSC(=S)SCC(=O)c1cccc(c1)S(=O)(=O)Nc1ccc(OC)cc1
Show InChI InChI=1S/C18H19NO4S4/c1-3-25-18(24)26-12-17(20)13-5-4-6-16(11-13)27(21,22)19-14-7-9-15(23-2)10-8-14/h4-11,19H,3,12H2,1-2H3
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n/an/a 530n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50251856
PNG
(CHEMBL481136 | O-Ethyl S-2-(4-Acetamido-phenyl)-2-...)
Show SMILES CCOC(=S)SCC(=O)c1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C13H15NO3S2/c1-3-17-13(18)19-8-12(16)10-4-6-11(7-5-10)14-9(2)15/h4-7H,3,8H2,1-2H3,(H,14,15)
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n/an/a 536n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50252320
PNG
(2-(5-{5-[(3-Amino-quinolinyl)-methyl]-pyridin-2-yl...)
Show SMILES CCSC(=S)SCC(=O)c1ccc(s1)-c1ccc(CNc2cnc3ccccc3c2)cn1
Show InChI InChI=1S/C24H21N3OS4/c1-2-30-24(29)31-15-21(28)23-10-9-22(32-23)20-8-7-16(13-26-20)12-25-18-11-17-5-3-4-6-19(17)27-14-18/h3-11,13-14,25H,2,12,15H2,1H3
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n/an/a 555n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50252249
PNG
(2-[5-(3,5-Dimethyl-benzylcarbamoyl)-thiophen-2-yl]...)
Show SMILES CCSC(=S)SCC(=O)c1ccc(s1)C(=O)NCc1cc(C)cc(C)c1
Show InChI InChI=1S/C19H21NO2S4/c1-4-24-19(23)25-11-15(21)16-5-6-17(26-16)18(22)20-10-14-8-12(2)7-13(3)9-14/h5-9H,4,10-11H2,1-3H3,(H,20,22)
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n/an/a 587n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50252159
PNG
(2-[4-(4-Chloro-phenylsulfamoyl)-phenyl]-2-oxoethyl...)
Show SMILES CCSC(=S)SCC(=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C17H16ClNO3S4/c1-2-24-17(23)25-11-16(20)12-3-9-15(10-4-12)26(21,22)19-14-7-5-13(18)6-8-14/h3-10,19H,2,11H2,1H3
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n/an/a 589n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50252058
PNG
(CHEMBL482096 | Ethyl 2-oxo-2-{3-[(quinoline-3-carb...)
Show SMILES CCSC(=S)SCC(=O)c1cccc(NC(=O)c2cnc3ccccc3c2)c1
Show InChI InChI=1S/C21H18N2O2S3/c1-2-27-21(26)28-13-19(24)15-7-5-8-17(11-15)23-20(25)16-10-14-6-3-4-9-18(14)22-12-16/h3-12H,2,13H2,1H3,(H,23,25)
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n/an/a 592n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50252109
PNG
(CHEMBL481131 | Ethyl 2-oxo-2-[4-(3-phenyl-ureido)-...)
Show SMILES CCSC(=S)SCC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C18H18N2O2S3/c1-2-24-18(23)25-12-16(21)13-8-10-15(11-9-13)20-17(22)19-14-6-4-3-5-7-14/h3-11H,2,12H2,1H3,(H2,19,20,22)
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n/an/a 606n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50252562
PNG
(2-[4-(2-Acetylamino-ethyl)-phenyl]-2-oxoethyl ethy...)
Show SMILES CCSC(=S)SCC(=O)c1ccc(CCNC(C)=O)cc1
Show InChI InChI=1S/C15H19NO2S3/c1-3-20-15(19)21-10-14(18)13-6-4-12(5-7-13)8-9-16-11(2)17/h4-7H,3,8-10H2,1-2H3,(H,16,17)
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n/an/a 607n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50252059
PNG
(2-(3-Benzylcarbamoyl-phenyl)-2-oxoethyl Ethyl Trit...)
Show SMILES CCSC(=S)SCC(=O)c1cccc(c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C19H19NO2S3/c1-2-24-19(23)25-13-17(21)15-9-6-10-16(11-15)18(22)20-12-14-7-4-3-5-8-14/h3-11H,2,12-13H2,1H3,(H,20,22)
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n/an/a 672n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50252108
PNG
(CHEMBL480973 | Ethyl 2-oxo-2-[4-(2-phenoxy-ethylca...)
Show SMILES CCSC(=S)SCC(=O)c1ccc(cc1)C(=O)NCCOc1ccccc1
Show InChI InChI=1S/C20H21NO3S3/c1-2-26-20(25)27-14-18(22)15-8-10-16(11-9-15)19(23)21-12-13-24-17-6-4-3-5-7-17/h3-11H,2,12-14H2,1H3,(H,21,23)
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n/an/a 712n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50252248
PNG
(CHEMBL510856 | Ethyl 2-oxo-2-[5-((R)-1-Phenyl-ethy...)
Show SMILES CCCSC(=S)SCC(=O)c1ccc(s1)C(=O)N[C@H](C)c1ccccc1 |r|
Show InChI InChI=1S/C19H21NO2S4/c1-3-11-24-19(23)25-12-15(21)16-9-10-17(26-16)18(22)20-13(2)14-7-5-4-6-8-14/h4-10,13H,3,11-12H2,1-2H3,(H,20,22)/t13-/m1/s1
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n/an/a 725n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50252251
PNG
(2-[5-(Benzylcarbamoyl-methyl)-thiophen-2-yl]-2-oxo...)
Show SMILES CCSC(=S)SCC(=O)c1ccc(CC(=O)NCc2ccccc2)s1
Show InChI InChI=1S/C18H19NO2S4/c1-2-23-18(22)24-12-15(20)16-9-8-14(25-16)10-17(21)19-11-13-6-4-3-5-7-13/h3-9H,2,10-12H2,1H3,(H,19,21)
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n/an/a 762n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50251858
PNG
(2-[3-(Acetylamino-methyl)-phenyl]-2-oxoethyl ethyl...)
Show SMILES CCSC(=S)SCC(=O)c1cccc(CNC(C)=O)c1
Show InChI InChI=1S/C14H17NO2S3/c1-3-19-14(18)20-9-13(17)12-6-4-5-11(7-12)8-15-10(2)16/h4-7H,3,8-9H2,1-2H3,(H,15,16)
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n/an/a 816n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50252105
PNG
(2-(4-Benzylcarbamoyl-phenyl)-2-oxoethyl Ethyl Trit...)
Show SMILES CCSC(=S)SCC(=O)c1ccc(cc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C19H19NO2S3/c1-2-24-19(23)25-13-17(21)15-8-10-16(11-9-15)18(22)20-12-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,20,22)
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n/an/a 830n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50252321
PNG
(2-(5-(5-Amino-pyrid-2-yl)-thieno-2-yl)-2-oxoethyl ...)
Show SMILES CCSC(=S)SCC(=O)c1ccc(s1)-c1ccc(N)cn1
Show InChI InChI=1S/C14H14N2OS4/c1-2-19-14(18)20-8-11(17)13-6-5-12(21-13)10-4-3-9(15)7-16-10/h3-7H,2,8,15H2,1H3
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n/an/a 831n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50252317
PNG
(2-[5-(4-Methoxy-benzylcarbamoyl-methyl)-thiophen-2...)
Show SMILES CCSC(=S)SCC(=O)c1ccc(CC(=O)NCc2ccc(OC)cc2)s1
Show InChI InChI=1S/C19H21NO3S4/c1-3-25-19(24)26-12-16(21)17-9-8-15(27-17)10-18(22)20-11-13-4-6-14(23-2)7-5-13/h4-9H,3,10-12H2,1-2H3,(H,20,22)
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n/an/a 887n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50251860
PNG
(2-[4-(N-Acetyl-N-methylamino-methyl)-phenyl]-2-oxo...)
Show SMILES CCSC(=S)SCC(=O)c1ccc(CN(C)C(C)=O)cc1
Show InChI InChI=1S/C15H19NO2S3/c1-4-20-15(19)21-10-14(18)13-7-5-12(6-8-13)9-16(3)11(2)17/h5-8H,4,9-10H2,1-3H3
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n/an/a 946n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50252160
PNG
(2-[4-(4-Chloro-benzenesulfonylamino)-phenyl]-2-oxo...)
Show SMILES CCSC(=S)SCC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C17H16ClNO3S4/c1-2-24-17(23)25-11-16(20)12-3-7-14(8-4-12)19-26(21,22)15-9-5-13(18)6-10-15/h3-10,19H,2,11H2,1H3
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n/an/a 979n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50252372
PNG
(CHEMBL482075 | Ethyl 2-oxo-2-{4-[(quinoline-3-carb...)
Show SMILES CCSC(=S)SCC(=O)c1ccc(NC(=O)c2cnc3ccccc3c2)cc1
Show InChI InChI=1S/C21H18N2O2S3/c1-2-27-21(26)28-13-19(24)14-7-9-17(10-8-14)23-20(25)16-11-15-5-3-4-6-18(15)22-12-16/h3-12H,2,13H2,1H3,(H,23,25)
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n/an/a 980n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50241191
PNG
(CHEMBL243997 | Ethyl 2-(4-Methanesulfonylamino-phe...)
Show SMILES CCSC(=S)SCC(=O)c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C12H15NO3S4/c1-3-18-12(17)19-8-11(14)9-4-6-10(7-5-9)13-20(2,15)16/h4-7,13H,3,8H2,1-2H3
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n/an/a 1.09E+3n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50252057
PNG
(CHEMBL482095 | Ethyl 2-oxo-2-{4-[(1-pyridine-3-yl-...)
Show SMILES CCSC(=S)SCC(=O)c1ccc(NC(=O)c2cccnc2)cc1
Show InChI InChI=1S/C17H16N2O2S3/c1-2-23-17(22)24-11-15(20)12-5-7-14(8-6-12)19-16(21)13-4-3-9-18-10-13/h3-10H,2,11H2,1H3,(H,19,21)
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n/an/a 1.16E+3n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50252005
PNG
(2-(3-Benzoylamino-phenyl)-2-oxoethyl ethyl trithio...)
Show SMILES CCSC(=S)SCC(=O)c1cccc(NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C18H17NO2S3/c1-2-23-18(22)24-12-16(20)14-9-6-10-15(11-14)19-17(21)13-7-4-3-5-8-13/h3-11H,2,12H2,1H3,(H,19,21)
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n/an/a 1.22E+3n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50241188
PNG
(CHEMBL242039 | Ethyl 2-(4-Methoxyphenyl)-2-oxoethy...)
Show SMILES CCSC(=S)SCC(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C12H14O2S3/c1-3-16-12(15)17-8-11(13)9-4-6-10(14-2)7-5-9/h4-7H,3,8H2,1-2H3
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n/an/a 1.22E+3n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50217137
PNG
(CHEMBL388710 | Ethyl 2-(4-Methylphenyl)-2-oxoethyl...)
Show SMILES CCSC(=S)SCC(=O)c1ccc(C)cc1
Show InChI InChI=1S/C12H14OS3/c1-3-15-12(14)16-8-11(13)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3
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n/an/a 1.25E+3n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50252161
PNG
(2-[3-(4-Chloro-benzenesulfonylamino)-phenyl]-2-oxo...)
Show SMILES CCSC(=S)SCC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C17H16ClNO3S4/c1-2-24-17(23)25-11-16(20)12-4-3-5-14(10-12)19-26(21,22)15-8-6-13(18)7-9-15/h3-10,19H,2,11H2,1H3
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n/an/a 1.25E+3n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50252619
PNG
(CHEMBL493249 | O-Ethyl S-2-(4-methoxy-phenyl)-2-ox...)
Show SMILES CCOC(=S)SCC(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C12H14O3S2/c1-3-15-12(16)17-8-11(13)9-4-6-10(14-2)7-5-9/h4-7H,3,8H2,1-2H3
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n/an/a 1.38E+3n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50252158
PNG
(2-[4-(Chloro-phenyl)carbamoyl-phenyl]-2-oxo-ethyl ...)
Show SMILES CCSC(=S)SCC(=O)c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C18H16ClNO2S3/c1-2-24-18(23)25-11-16(21)12-3-5-13(6-4-12)17(22)20-15-9-7-14(19)8-10-15/h3-10H,2,11H2,1H3,(H,20,22)
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n/an/a 1.45E+3n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50252007
PNG
(2-(3-Benzenesulfonylamino-phenyl)-2-oxoethyl ethyl...)
Show SMILES CCSC(=S)SCC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C17H17NO3S4/c1-2-23-17(22)24-12-16(19)13-7-6-8-14(11-13)18-25(20,21)15-9-4-3-5-10-15/h3-11,18H,2,12H2,1H3
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n/an/a 1.55E+3n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50252206
PNG
(2-[3-(3-Aminocarbonyl-phenylsulfamoyl)-phenyl]-2-o...)
Show SMILES CCSC(=S)SCC(=O)c1cccc(c1)S(=O)(=O)Nc1cccc(c1)C(N)=O
Show InChI InChI=1S/C18H18N2O4S4/c1-2-26-18(25)27-11-16(21)12-5-4-8-15(10-12)28(23,24)20-14-7-3-6-13(9-14)17(19)22/h3-10,20H,2,11H2,1H3,(H2,19,22)
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n/an/a 1.56E+3n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50252669
PNG
(2-(N-Acetamido)-ethyl 2-(4-methoxyphenyl)-2-oxoeth...)
Show SMILES COc1ccc(cc1)C(=O)CSC(=S)SCCNC(C)=O
Show InChI InChI=1S/C14H17NO3S3/c1-10(16)15-7-8-20-14(19)21-9-13(17)11-3-5-12(18-2)6-4-11/h3-6H,7-9H2,1-2H3,(H,15,16)
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n/an/a 1.64E+3n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50251899
PNG
(CHEMBL481922 | Ethyl 2-oxo-2-(3-Phenylcarbamoyl-ph...)
Show SMILES CCSC(=S)SCC(=O)c1cccc(c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H17NO2S3/c1-2-23-18(22)24-12-16(20)13-7-6-8-14(11-13)17(21)19-15-9-4-3-5-10-15/h3-11H,2,12H2,1H3,(H,19,21)
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n/an/a 1.67E+3n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50241190
PNG
(2-(4-Acetylamino-phenyl)-2-oxoethyl Ethyl Trithioc...)
Show SMILES CCSC(=S)SCC(=O)c1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C13H15NO2S3/c1-3-18-13(17)19-8-12(16)10-4-6-11(7-5-10)14-9(2)15/h4-7H,3,8H2,1-2H3,(H,14,15)
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n/an/a 1.68E+3n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50252008
PNG
(2-(4-Benzenesulfonylamino-phenyl)-2-oxoethyl ethyl...)
Show SMILES CCSC(=S)SCC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C17H17NO3S4/c1-2-23-17(22)24-12-16(19)13-8-10-14(11-9-13)18-25(20,21)15-6-4-3-5-7-15/h3-11,18H,2,12H2,1H3
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n/an/a 1.87E+3n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50252205
PNG
(CHEMBL481311 | Ethyl 2-[4-(N-4-methoxy-phenyl-N-me...)
Show SMILES CCSC(=S)SCC(=O)c1cccc(c1)S(=O)(=O)N(C)c1ccc(OC)cc1
Show InChI InChI=1S/C19H21NO4S4/c1-4-26-19(25)27-13-18(21)14-6-5-7-17(12-14)28(22,23)20(2)15-8-10-16(24-3)11-9-15/h5-12H,4,13H2,1-3H3
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n/an/a 2.04E+3n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50252670
PNG
(2-methoxyethyl 2-(4-methoxyphenyl)-2-oxoethyl trit...)
Show SMILES COCCSC(=S)SCC(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C13H16O3S3/c1-15-7-8-18-13(17)19-9-12(14)10-3-5-11(16-2)6-4-10/h3-6H,7-9H2,1-2H3
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n/an/a 2.13E+3n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50252160
PNG
(2-[4-(4-Chloro-benzenesulfonylamino)-phenyl]-2-oxo...)
Show SMILES CCSC(=S)SCC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C17H16ClNO3S4/c1-2-24-17(23)25-11-16(20)12-3-7-14(8-4-12)19-26(21,22)15-9-5-13(18)6-10-15/h3-10,19H,2,11H2,1H3
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n/an/a 2.49E+3n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50241189
PNG
(2-(3-Acetylamino-phenyl)-2-oxoethyl Ethyl Trithioc...)
Show SMILES CCSC(=S)SCC(=O)c1cccc(NC(C)=O)c1
Show InChI InChI=1S/C13H15NO2S3/c1-3-18-13(17)19-8-12(16)10-5-4-6-11(7-10)14-9(2)15/h4-7H,3,8H2,1-2H3,(H,14,15)
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n/an/a 2.93E+3n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50252161
PNG
(2-[3-(4-Chloro-benzenesulfonylamino)-phenyl]-2-oxo...)
Show SMILES CCSC(=S)SCC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C17H16ClNO3S4/c1-2-24-17(23)25-11-16(20)12-4-3-5-14(10-12)19-26(21,22)15-8-6-13(18)7-9-15/h3-10,19H,2,11H2,1H3
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n/an/a 3.46E+3n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50241188
PNG
(CHEMBL242039 | Ethyl 2-(4-Methoxyphenyl)-2-oxoethy...)
Show SMILES CCSC(=S)SCC(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C12H14O2S3/c1-3-16-12(15)17-8-11(13)9-4-6-10(14-2)7-5-9/h4-7H,3,8H2,1-2H3
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n/an/a 4.56E+3n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50252668
PNG
(2-Phenoxyethyl 2-(4-methoxyphenyl)-2-oxoethyl trit...)
Show SMILES COc1ccc(cc1)C(=O)CSC(=S)SCCOc1ccccc1
Show InChI InChI=1S/C18H18O3S3/c1-20-15-9-7-14(8-10-15)17(19)13-24-18(22)23-12-11-21-16-5-3-2-4-6-16/h2-10H,11-13H2,1H3
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n/an/a 4.57E+3n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50252205
PNG
(CHEMBL481311 | Ethyl 2-[4-(N-4-methoxy-phenyl-N-me...)
Show SMILES CCSC(=S)SCC(=O)c1cccc(c1)S(=O)(=O)N(C)c1ccc(OC)cc1
Show InChI InChI=1S/C19H21NO4S4/c1-4-26-19(25)27-13-18(21)14-6-5-7-17(12-14)28(22,23)20(2)15-8-10-16(24-3)11-9-15/h5-12H,4,13H2,1-3H3
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n/an/a 5.33E+3n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50252623
PNG
(CHEMBL470470 | O-Ethyl S-2-(4-methoxy-phenyl)-2-ox...)
Show SMILES CCOC(=O)SCC(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C12H14O4S/c1-3-16-12(14)17-8-11(13)9-4-6-10(15-2)7-5-9/h4-7H,3,8H2,1-2H3
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n/an/a 5.36E+3n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50252105
PNG
(2-(4-Benzylcarbamoyl-phenyl)-2-oxoethyl Ethyl Trit...)
Show SMILES CCSC(=S)SCC(=O)c1ccc(cc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C19H19NO2S3/c1-2-24-19(23)25-13-17(21)15-8-10-16(11-9-15)18(22)20-12-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,20,22)
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n/an/a 5.78E+3n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50241191
PNG
(CHEMBL243997 | Ethyl 2-(4-Methanesulfonylamino-phe...)
Show SMILES CCSC(=S)SCC(=O)c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C12H15NO3S4/c1-3-18-12(17)19-8-11(14)9-4-6-10(7-5-9)13-20(2,15)16/h4-7,13H,3,8H2,1-2H3
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n/an/a 6.11E+3n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50217137
PNG
(CHEMBL388710 | Ethyl 2-(4-Methylphenyl)-2-oxoethyl...)
Show SMILES CCSC(=S)SCC(=O)c1ccc(C)cc1
Show InChI InChI=1S/C12H14OS3/c1-3-15-12(14)16-8-11(13)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3
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n/an/a 6.99E+3n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50251859
PNG
(2-[4-(Acetylamino-methyl)-phenyl]-2-oxoethyl Ethyl...)
Show SMILES CCSC(=S)SCC(=O)c1ccc(CNC(C)=O)cc1
Show InChI InChI=1S/C14H17NO2S3/c1-3-19-14(18)20-9-13(17)12-6-4-11(5-7-12)8-15-10(2)16/h4-7H,3,8-9H2,1-2H3,(H,15,16)
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n/an/a 7.12E+3n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50252669
PNG
(2-(N-Acetamido)-ethyl 2-(4-methoxyphenyl)-2-oxoeth...)
Show SMILES COc1ccc(cc1)C(=O)CSC(=S)SCCNC(C)=O
Show InChI InChI=1S/C14H17NO3S3/c1-10(16)15-7-8-20-14(19)21-9-13(17)11-3-5-12(18-2)6-4-11/h3-6H,7-9H2,1-2H3,(H,15,16)
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n/an/a 7.51E+3n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50252670
PNG
(2-methoxyethyl 2-(4-methoxyphenyl)-2-oxoethyl trit...)
Show SMILES COCCSC(=S)SCC(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C13H16O3S3/c1-15-7-8-18-13(17)19-9-12(14)10-3-5-11(16-2)6-4-10/h3-6H,7-9H2,1-2H3
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n/an/a 8.94E+3n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50252668
PNG
(2-Phenoxyethyl 2-(4-methoxyphenyl)-2-oxoethyl trit...)
Show SMILES COc1ccc(cc1)C(=O)CSC(=S)SCCOc1ccccc1
Show InChI InChI=1S/C18H18O3S3/c1-20-15-9-7-14(8-10-15)17(19)13-24-18(22)23-12-11-21-16-5-3-2-4-6-16/h2-10H,11-13H2,1H3
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n/an/a 9.72E+3n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50252006
PNG
(CHEMBL482280 | Ethyl 2-oxo-2{-[(1-phenyl-methanoyl...)
Show SMILES CCSC(=S)SCC(=O)c1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C18H17NO2S3/c1-2-23-18(22)24-12-16(20)13-8-10-15(11-9-13)19-17(21)14-6-4-3-5-7-14/h3-11H,2,12H2,1H3,(H,19,21)
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n/an/a 1.04E+4n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50252109
PNG
(CHEMBL481131 | Ethyl 2-oxo-2-[4-(3-phenyl-ureido)-...)
Show SMILES CCSC(=S)SCC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C18H18N2O2S3/c1-2-24-18(23)25-12-16(21)13-8-10-15(11-9-13)20-17(22)19-14-6-4-3-5-7-14/h3-11H,2,12H2,1H3,(H2,19,20,22)
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n/an/a 1.88E+4n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50252623
PNG
(CHEMBL470470 | O-Ethyl S-2-(4-methoxy-phenyl)-2-ox...)
Show SMILES CCOC(=O)SCC(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C12H14O4S/c1-3-16-12(14)17-8-11(13)9-4-6-10(15-2)7-5-9/h4-7H,3,8H2,1-2H3
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n/an/a 2.12E+4n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50252055
PNG
(CHEMBL482094 | Ethyl 2-oxo-2-[4-(quinazolin-4-ylam...)
Show SMILES CCSC(=S)SCC(=O)c1ccc(Nc2ncnc3ccccc23)cc1
Show InChI InChI=1S/C19H17N3OS3/c1-2-25-19(24)26-11-17(23)13-7-9-14(10-8-13)22-18-15-5-3-4-6-16(15)20-12-21-18/h3-10,12H,2,11H2,1H3,(H,20,21,22)
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n/an/a 2.58E+4n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50252004
PNG
(CHEMBL517076 | Ethyl 2-oxo-2-(4-Phenylcarbamoyl-ph...)
Show SMILES CCSC(=S)SCC(=O)c1ccc(cc1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H17NO2S3/c1-2-23-18(22)24-12-16(20)13-8-10-14(11-9-13)17(21)19-15-6-4-3-5-7-15/h3-11H,2,12H2,1H3,(H,19,21)
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n/an/a 2.79E+4n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50252250
PNG
(CHEMBL479970 | Ethyl 2-oxo-2-(5-phenylcarbamoyl-th...)
Show SMILES CCSC(=S)SCC(=O)c1ccc(s1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C16H15NO2S4/c1-2-21-16(20)22-10-12(18)13-8-9-14(23-13)15(19)17-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,17,19)
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n/an/a 3.16E+4n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50251858
PNG
(2-[3-(Acetylamino-methyl)-phenyl]-2-oxoethyl ethyl...)
Show SMILES CCSC(=S)SCC(=O)c1cccc(CNC(C)=O)c1
Show InChI InChI=1S/C14H17NO2S3/c1-3-19-14(18)20-9-13(17)12-6-4-5-11(7-12)8-15-10(2)16/h4-7H,3,8-9H2,1-2H3,(H,15,16)
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n/an/a 3.82E+4n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells


J Med Chem 51: 3985-4001 (2008)


Article DOI: 10.1021/jm800093c
BindingDB Entry DOI: 10.7270/Q29886S0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%