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PubMed code 23009203

Compile data set for download or QSAR
Found 39 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))
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1|
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/h5-12,22H,1-4H3,(H,18,20)
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n/an/a 1.20n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 expressed in Sf9 cells incubated for 2 hrs using RHKK-Ac fluorogenic substrate


J Med Chem 55: 9891-9 (2012)


Article DOI: 10.1021/jm301098e
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50398725
PNG
(CHEMBL2179249 | US9409858, 5b | US9751832, Compoun...)
Show SMILES COc1ccccc1NC(=O)N(CCCO)Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C19H23N3O5/c1-27-17-6-3-2-5-16(17)20-19(25)22(11-4-12-23)13-14-7-9-15(10-8-14)18(24)21-26/h2-3,5-10,23,26H,4,11-13H2,1H3,(H,20,25)(H,21,24)
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n/an/a 2.38n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 expressed in Sf9 cells incubated for 2 hrs using RHKK-Ac fluorogenic substrate


J Med Chem 55: 9891-9 (2012)


Article DOI: 10.1021/jm301098e
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1|
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/h5-12,22H,1-4H3,(H,18,20)
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n/an/a 5n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 expressed in Sf9 cells incubated for 2 hrs using RHKK-Ac fluorogenic substrate


J Med Chem 55: 9891-9 (2012)


Article DOI: 10.1021/jm301098e
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50398716
PNG
(CHEMBL2179618 | US9409858, 5g | US9751832, Compoun...)
Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1
Show InChI InChI=1S/C19H23N3O3/c1-2-3-13-22(19(24)20-17-7-5-4-6-8-17)14-15-9-11-16(12-10-15)18(23)21-25/h4-12,25H,2-3,13-14H2,1H3,(H,20,24)(H,21,23)
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n/an/a 5.02n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 expressed in Sf9 cells incubated for 2 hrs using RHKK-Ac fluorogenic substrate


J Med Chem 55: 9891-9 (2012)


Article DOI: 10.1021/jm301098e
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50398723
PNG
(CHEMBL2179615 | US9409858, 5d | US9751832, Compoun...)
Show SMILES COc1ccccc1NC(=O)N(CCc1ccc(O)cc1)Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C24H25N3O5/c1-32-22-5-3-2-4-21(22)25-24(30)27(15-14-17-8-12-20(28)13-9-17)16-18-6-10-19(11-7-18)23(29)26-31/h2-13,28,31H,14-16H2,1H3,(H,25,30)(H,26,29)
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n/an/a 5.80n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 expressed in Sf9 cells incubated for 2 hrs using RHKK-Ac fluorogenic substrate


J Med Chem 55: 9891-9 (2012)


Article DOI: 10.1021/jm301098e
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50398721
PNG
(CHEMBL2179617 | US9409858, 5f | US9751832, Compoun...)
Show SMILES COCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H21N3O4/c1-25-12-11-21(18(23)19-16-5-3-2-4-6-16)13-14-7-9-15(10-8-14)17(22)20-24/h2-10,24H,11-13H2,1H3,(H,19,23)(H,20,22)
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n/an/a 9.26n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 expressed in Sf9 cells incubated for 2 hrs using RHKK-Ac fluorogenic substrate


J Med Chem 55: 9891-9 (2012)


Article DOI: 10.1021/jm301098e
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50398722
PNG
(CHEMBL2179616 | US9409858, 5e | US9751832, Compoun...)
Show SMILES COCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1
Show InChI InChI=1S/C19H23N3O4/c1-26-13-5-12-22(19(24)20-17-6-3-2-4-7-17)14-15-8-10-16(11-9-15)18(23)21-25/h2-4,6-11,25H,5,12-14H2,1H3,(H,20,24)(H,21,23)
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n/an/a 11.7n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 expressed in Sf9 cells incubated for 2 hrs using RHKK-Ac fluorogenic substrate


J Med Chem 55: 9891-9 (2012)


Article DOI: 10.1021/jm301098e
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50398720
PNG
(CHEMBL2179619 | US9409858, 5h | US9751832, Compoun...)
Show SMILES ONC(=O)c1ccc(CN(CCc2ccccc2)C(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C23H23N3O3/c27-22(25-29)20-13-11-19(12-14-20)17-26(16-15-18-7-3-1-4-8-18)23(28)24-21-9-5-2-6-10-21/h1-14,29H,15-17H2,(H,24,28)(H,25,27)
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n/an/a 14n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 expressed in Sf9 cells incubated for 2 hrs using RHKK-Ac fluorogenic substrate


J Med Chem 55: 9891-9 (2012)


Article DOI: 10.1021/jm301098e
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50380399
PNG
(CHEMBL2018302 | Tubastatin A | US8748451, 6 | US92...)
Show SMILES CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)
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n/an/a 15n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 expressed in Sf9 cells incubated for 2 hrs using RHKK-Ac fluorogenic substrate


J Med Chem 55: 9891-9 (2012)


Article DOI: 10.1021/jm301098e
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50398719
PNG
(CHEMBL2179244 | US9409858, 8a | US9751832, Compoun...)
Show SMILES CCCCN(C(=O)NCc1ccc(cc1)C(=O)NO)c1ccccc1
Show InChI InChI=1S/C19H23N3O3/c1-2-3-13-22(17-7-5-4-6-8-17)19(24)20-14-15-9-11-16(12-10-15)18(23)21-25/h4-12,25H,2-3,13-14H2,1H3,(H,20,24)(H,21,23)
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n/an/a 25.2n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 expressed in Sf9 cells incubated for 2 hrs using RHKK-Ac fluorogenic substrate


J Med Chem 55: 9891-9 (2012)


Article DOI: 10.1021/jm301098e
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50398717
PNG
(CHEMBL2179246 | US9409858, 8c | US9751832, Compoun...)
Show SMILES CCN(C(=O)NCc1ccc(cc1)C(=O)NO)c1ccccc1
Show InChI InChI=1S/C17H19N3O3/c1-2-20(15-6-4-3-5-7-15)17(22)18-12-13-8-10-14(11-9-13)16(21)19-23/h3-11,23H,2,12H2,1H3,(H,18,22)(H,19,21)
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n/an/a 41.1n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 expressed in Sf9 cells incubated for 2 hrs using RHKK-Ac fluorogenic substrate


J Med Chem 55: 9891-9 (2012)


Article DOI: 10.1021/jm301098e
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50398718
PNG
(CHEMBL2179245 | US9409858, 8b | US9751832, Compoun...)
Show SMILES COCCCN(C(=O)NCc1ccc(cc1)C(=O)NO)c1ccccc1
Show InChI InChI=1S/C19H23N3O4/c1-26-13-5-12-22(17-6-3-2-4-7-17)19(24)20-14-15-8-10-16(11-9-15)18(23)21-25/h2-4,6-11,25H,5,12-14H2,1H3,(H,20,24)(H,21,23)
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n/an/a 60.3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 expressed in Sf9 cells incubated for 2 hrs using RHKK-Ac fluorogenic substrate


J Med Chem 55: 9891-9 (2012)


Article DOI: 10.1021/jm301098e
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM24624
PNG
(CHEMBL272980 | MGCD-0103 | MGCD0103 | N-(2-aminoph...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cccnc2)cc1
Show InChI InChI=1S/C23H20N6O/c24-19-5-1-2-6-21(19)28-22(30)17-9-7-16(8-10-17)14-27-23-26-13-11-20(29-23)18-4-3-12-25-15-18/h1-13,15H,14,24H2,(H,28,30)(H,26,27,29)
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n/an/a 102n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 expressed in Sf9 cells incubated for 2 hrs using RHKK-Ac fluorogenic substrate


J Med Chem 55: 9891-9 (2012)


Article DOI: 10.1021/jm301098e
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50398727
PNG
(CHEMBL2179247 | US9409858, 1)
Show SMILES COc1ccccc1NC(=O)NCc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C16H17N3O4/c1-23-14-5-3-2-4-13(14)18-16(21)17-10-11-6-8-12(9-7-11)15(20)19-22/h2-9,22H,10H2,1H3,(H,19,20)(H2,17,18,21)
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n/an/a 139n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 expressed in Sf9 cells incubated for 2 hrs using RHKK-Ac fluorogenic substrate


J Med Chem 55: 9891-9 (2012)


Article DOI: 10.1021/jm301098e
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50398727
PNG
(CHEMBL2179247 | US9409858, 1)
Show SMILES COc1ccccc1NC(=O)NCc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C16H17N3O4/c1-23-14-5-3-2-4-13(14)18-16(21)17-10-11-6-8-12(9-7-11)15(20)19-22/h2-9,22H,10H2,1H3,(H,19,20)(H2,17,18,21)
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n/an/a 265n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 expressed in Sf9 cells incubated for 2 hrs using RHKK-Ac fluorogenic substrate


J Med Chem 55: 9891-9 (2012)


Article DOI: 10.1021/jm301098e
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50398726
PNG
(CHEMBL2179248 | US9409858, 5a | US9751832, Compoun...)
Show SMILES COc1ccccc1NC(=O)N(CCCN(C)C)Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C21H28N4O4/c1-24(2)13-6-14-25(15-16-9-11-17(12-10-16)20(26)23-28)21(27)22-18-7-4-5-8-19(18)29-3/h4-5,7-12,28H,6,13-15H2,1-3H3,(H,22,27)(H,23,26)
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n/an/a 458n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 expressed in Sf9 cells incubated for 2 hrs using RHKK-Ac fluorogenic substrate


J Med Chem 55: 9891-9 (2012)


Article DOI: 10.1021/jm301098e
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50398724
PNG
(CHEMBL2179250 | US9409858, 5c | US9751832, Compoun...)
Show SMILES COc1ccccc1NC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C26H26N4O4/c1-34-24-9-5-4-8-23(24)28-26(32)30(17-18-10-12-19(13-11-18)25(31)29-33)15-14-20-16-27-22-7-3-2-6-21(20)22/h2-13,16,27,33H,14-15,17H2,1H3,(H,28,32)(H,29,31)
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n/an/a 468n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 expressed in Sf9 cells incubated for 2 hrs using RHKK-Ac fluorogenic substrate


J Med Chem 55: 9891-9 (2012)


Article DOI: 10.1021/jm301098e
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50398716
PNG
(CHEMBL2179618 | US9409858, 5g | US9751832, Compoun...)
Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1
Show InChI InChI=1S/C19H23N3O3/c1-2-3-13-22(19(24)20-17-7-5-4-6-8-17)14-15-9-11-16(12-10-15)18(23)21-25/h4-12,25H,2-3,13-14H2,1H3,(H,20,24)(H,21,23)
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n/an/a 954n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC8


J Med Chem 55: 9891-9 (2012)


Article DOI: 10.1021/jm301098e
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50398717
PNG
(CHEMBL2179246 | US9409858, 8c | US9751832, Compoun...)
Show SMILES CCN(C(=O)NCc1ccc(cc1)C(=O)NO)c1ccccc1
Show InChI InChI=1S/C17H19N3O3/c1-2-20(15-6-4-3-5-7-15)17(22)18-12-13-8-10-14(11-9-13)16(21)19-23/h3-11,23H,2,12H2,1H3,(H,18,22)(H,19,21)
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n/an/a 1.36E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 expressed in Sf9 cells incubated for 2 hrs using RHKK-Ac fluorogenic substrate


J Med Chem 55: 9891-9 (2012)


Article DOI: 10.1021/jm301098e
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50398718
PNG
(CHEMBL2179245 | US9409858, 8b | US9751832, Compoun...)
Show SMILES COCCCN(C(=O)NCc1ccc(cc1)C(=O)NO)c1ccccc1
Show InChI InChI=1S/C19H23N3O4/c1-26-13-5-12-22(17-6-3-2-4-7-17)19(24)20-14-15-8-10-16(11-9-15)18(23)21-25/h2-4,6-11,25H,5,12-14H2,1H3,(H,20,24)(H,21,23)
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n/an/a 1.36E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 expressed in Sf9 cells incubated for 2 hrs using RHKK-Ac fluorogenic substrate


J Med Chem 55: 9891-9 (2012)


Article DOI: 10.1021/jm301098e
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50398723
PNG
(CHEMBL2179615 | US9409858, 5d | US9751832, Compoun...)
Show SMILES COc1ccccc1NC(=O)N(CCc1ccc(O)cc1)Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C24H25N3O5/c1-32-22-5-3-2-4-21(22)25-24(30)27(15-14-17-8-12-20(28)13-9-17)16-18-6-10-19(11-7-18)23(29)26-31/h2-13,28,31H,14-16H2,1H3,(H,25,30)(H,26,29)
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n/an/a 1.69E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 expressed in Sf9 cells incubated for 2 hrs using RHKK-Ac fluorogenic substrate


J Med Chem 55: 9891-9 (2012)


Article DOI: 10.1021/jm301098e
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50398725
PNG
(CHEMBL2179249 | US9409858, 5b | US9751832, Compoun...)
Show SMILES COc1ccccc1NC(=O)N(CCCO)Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C19H23N3O5/c1-27-17-6-3-2-5-16(17)20-19(25)22(11-4-12-23)13-14-7-9-15(10-8-14)18(24)21-26/h2-3,5-10,23,26H,4,11-13H2,1H3,(H,20,25)(H,21,24)
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n/an/a 1.91E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 expressed in Sf9 cells incubated for 2 hrs using RHKK-Ac fluorogenic substrate


J Med Chem 55: 9891-9 (2012)


Article DOI: 10.1021/jm301098e
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50398721
PNG
(CHEMBL2179617 | US9409858, 5f | US9751832, Compoun...)
Show SMILES COCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H21N3O4/c1-25-12-11-21(18(23)19-16-5-3-2-4-6-16)13-14-7-9-15(10-8-14)17(22)20-24/h2-10,24H,11-13H2,1H3,(H,19,23)(H,20,22)
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n/an/a 2.25E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 expressed in Sf9 cells incubated for 2 hrs using RHKK-Ac fluorogenic substrate


J Med Chem 55: 9891-9 (2012)


Article DOI: 10.1021/jm301098e
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50398726
PNG
(CHEMBL2179248 | US9409858, 5a | US9751832, Compoun...)
Show SMILES COc1ccccc1NC(=O)N(CCCN(C)C)Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C21H28N4O4/c1-24(2)13-6-14-25(15-16-9-11-17(12-10-16)20(26)23-28)21(27)22-18-7-4-5-8-19(18)29-3/h4-5,7-12,28H,6,13-15H2,1-3H3,(H,22,27)(H,23,26)
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n/an/a 2.55E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 expressed in Sf9 cells incubated for 2 hrs using RHKK-Ac fluorogenic substrate


J Med Chem 55: 9891-9 (2012)


Article DOI: 10.1021/jm301098e
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50398716
PNG
(CHEMBL2179618 | US9409858, 5g | US9751832, Compoun...)
Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1
Show InChI InChI=1S/C19H23N3O3/c1-2-3-13-22(19(24)20-17-7-5-4-6-8-17)14-15-9-11-16(12-10-15)18(23)21-25/h4-12,25H,2-3,13-14H2,1H3,(H,20,24)(H,21,23)
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n/an/a 3.02E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 expressed in Sf9 cells incubated for 2 hrs using RHKK-Ac fluorogenic substrate


J Med Chem 55: 9891-9 (2012)


Article DOI: 10.1021/jm301098e
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50398720
PNG
(CHEMBL2179619 | US9409858, 5h | US9751832, Compoun...)
Show SMILES ONC(=O)c1ccc(CN(CCc2ccccc2)C(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C23H23N3O3/c27-22(25-29)20-13-11-19(12-14-20)17-26(16-15-18-7-3-1-4-8-18)23(28)24-21-9-5-2-6-10-21/h1-14,29H,15-17H2,(H,24,28)(H,25,27)
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n/an/a 3.12E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 expressed in Sf9 cells incubated for 2 hrs using RHKK-Ac fluorogenic substrate


J Med Chem 55: 9891-9 (2012)


Article DOI: 10.1021/jm301098e
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50398716
PNG
(CHEMBL2179618 | US9409858, 5g | US9751832, Compoun...)
Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1
Show InChI InChI=1S/C19H23N3O3/c1-2-3-13-22(19(24)20-17-7-5-4-6-8-17)14-15-9-11-16(12-10-15)18(23)21-25/h4-12,25H,2-3,13-14H2,1H3,(H,20,24)(H,21,23)
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n/an/a 4.46E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC7


J Med Chem 55: 9891-9 (2012)


Article DOI: 10.1021/jm301098e
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50398716
PNG
(CHEMBL2179618 | US9409858, 5g | US9751832, Compoun...)
Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1
Show InChI InChI=1S/C19H23N3O3/c1-2-3-13-22(19(24)20-17-7-5-4-6-8-17)14-15-9-11-16(12-10-15)18(23)21-25/h4-12,25H,2-3,13-14H2,1H3,(H,20,24)(H,21,23)
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n/an/a 5.14E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC11


J Med Chem 55: 9891-9 (2012)


Article DOI: 10.1021/jm301098e
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50398722
PNG
(CHEMBL2179616 | US9409858, 5e | US9751832, Compoun...)
Show SMILES COCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1
Show InChI InChI=1S/C19H23N3O4/c1-26-13-5-12-22(19(24)20-17-6-3-2-4-7-17)14-15-8-10-16(11-9-15)18(23)21-25/h2-4,6-11,25H,5,12-14H2,1H3,(H,20,24)(H,21,23)
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n/an/a 5.18E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 expressed in Sf9 cells incubated for 2 hrs using RHKK-Ac fluorogenic substrate


J Med Chem 55: 9891-9 (2012)


Article DOI: 10.1021/jm301098e
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50398716
PNG
(CHEMBL2179618 | US9409858, 5g | US9751832, Compoun...)
Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1
Show InChI InChI=1S/C19H23N3O3/c1-2-3-13-22(19(24)20-17-7-5-4-6-8-17)14-15-9-11-16(12-10-15)18(23)21-25/h4-12,25H,2-3,13-14H2,1H3,(H,20,24)(H,21,23)
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n/an/a 6.68E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC3


J Med Chem 55: 9891-9 (2012)


Article DOI: 10.1021/jm301098e
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50398716
PNG
(CHEMBL2179618 | US9409858, 5g | US9751832, Compoun...)
Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1
Show InChI InChI=1S/C19H23N3O3/c1-2-3-13-22(19(24)20-17-7-5-4-6-8-17)14-15-9-11-16(12-10-15)18(23)21-25/h4-12,25H,2-3,13-14H2,1H3,(H,20,24)(H,21,23)
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n/an/a 6.72E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC9


J Med Chem 55: 9891-9 (2012)


Article DOI: 10.1021/jm301098e
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50398716
PNG
(CHEMBL2179618 | US9409858, 5g | US9751832, Compoun...)
Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1
Show InChI InChI=1S/C19H23N3O3/c1-2-3-13-22(19(24)20-17-7-5-4-6-8-17)14-15-9-11-16(12-10-15)18(23)21-25/h4-12,25H,2-3,13-14H2,1H3,(H,20,24)(H,21,23)
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n/an/a 6.92E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC2


J Med Chem 55: 9891-9 (2012)


Article DOI: 10.1021/jm301098e
More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (Human))
BDBM50398716
PNG
(CHEMBL2179618 | US9409858, 5g | US9751832, Compoun...)
Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1
Show InChI InChI=1S/C19H23N3O3/c1-2-3-13-22(19(24)20-17-7-5-4-6-8-17)14-15-9-11-16(12-10-15)18(23)21-25/h4-12,25H,2-3,13-14H2,1H3,(H,20,24)(H,21,23)
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n/an/a 7.57E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC10


J Med Chem 55: 9891-9 (2012)


Article DOI: 10.1021/jm301098e
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50398719
PNG
(CHEMBL2179244 | US9409858, 8a | US9751832, Compoun...)
Show SMILES CCCCN(C(=O)NCc1ccc(cc1)C(=O)NO)c1ccccc1
Show InChI InChI=1S/C19H23N3O3/c1-2-3-13-22(17-7-5-4-6-8-17)19(24)20-14-15-9-11-16(12-10-15)18(23)21-25/h4-12,25H,2-3,13-14H2,1H3,(H,20,24)(H,21,23)
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n/an/a 8.12E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 expressed in Sf9 cells incubated for 2 hrs using RHKK-Ac fluorogenic substrate


J Med Chem 55: 9891-9 (2012)


Article DOI: 10.1021/jm301098e
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50398724
PNG
(CHEMBL2179250 | US9409858, 5c | US9751832, Compoun...)
Show SMILES COc1ccccc1NC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C26H26N4O4/c1-34-24-9-5-4-8-23(24)28-26(32)30(17-18-10-12-19(13-11-18)25(31)29-33)15-14-20-16-27-22-7-3-2-6-21(20)22/h2-13,16,27,33H,14-15,17H2,1H3,(H,28,32)(H,29,31)
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n/an/a 8.95E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 expressed in Sf9 cells incubated for 2 hrs using RHKK-Ac fluorogenic substrate


J Med Chem 55: 9891-9 (2012)


Article DOI: 10.1021/jm301098e
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50398716
PNG
(CHEMBL2179618 | US9409858, 5g | US9751832, Compoun...)
Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1
Show InChI InChI=1S/C19H23N3O3/c1-2-3-13-22(19(24)20-17-7-5-4-6-8-17)14-15-9-11-16(12-10-15)18(23)21-25/h4-12,25H,2-3,13-14H2,1H3,(H,20,24)(H,21,23)
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n/an/a 9.39E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC4


J Med Chem 55: 9891-9 (2012)


Article DOI: 10.1021/jm301098e
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM24624
PNG
(CHEMBL272980 | MGCD-0103 | MGCD0103 | N-(2-aminoph...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cccnc2)cc1
Show InChI InChI=1S/C23H20N6O/c24-19-5-1-2-6-21(19)28-22(30)17-9-7-16(8-10-17)14-27-23-26-13-11-20(29-23)18-4-3-12-25-15-18/h1-13,15H,14,24H2,(H,28,30)(H,26,27,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 expressed in Sf9 cells incubated for 2 hrs using RHKK-Ac fluorogenic substrate


J Med Chem 55: 9891-9 (2012)


Article DOI: 10.1021/jm301098e
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50398716
PNG
(CHEMBL2179618 | US9409858, 5g | US9751832, Compoun...)
Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1
Show InChI InChI=1S/C19H23N3O3/c1-2-3-13-22(19(24)20-17-7-5-4-6-8-17)14-15-9-11-16(12-10-15)18(23)21-25/h4-12,25H,2-3,13-14H2,1H3,(H,20,24)(H,21,23)
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n/an/a 1.17E+4n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC5


J Med Chem 55: 9891-9 (2012)


Article DOI: 10.1021/jm301098e
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50380399
PNG
(CHEMBL2018302 | Tubastatin A | US8748451, 6 | US92...)
Show SMILES CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)
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n/an/a 1.64E+4n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 expressed in Sf9 cells incubated for 2 hrs using RHKK-Ac fluorogenic substrate


J Med Chem 55: 9891-9 (2012)


Article DOI: 10.1021/jm301098e
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%