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Compile Data Set for Download or QSAR

Found 189 hits with Last Name = 'lo surdo' and Initial = 'p'   
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 3


(Homo sapiens (Human))
BDBM19428
PNG
((2E)-N-hydroxy-3-(4-{[(2-hydroxyethyl)[2-(1H-indol...)
Show SMILES OCCN(CCc1c[nH]c2ccccc12)Cc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C22H25N3O3/c26-14-13-25(12-11-19-15-23-21-4-2-1-3-20(19)21)16-18-7-5-17(6-8-18)9-10-22(27)24-28/h1-10,15,23,26,28H,11-14,16H2,(H,24,27)/b10-9+
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n/an/a 0.400n/an/an/an/an/an/a



Istituto di Ricerche di Biologia Molecolare

Curated by ChEMBL


Assay Description
Inhibition of flag-tagged HDAC3


Proc Natl Acad Sci USA 104: 17335-40 (2007)


Article DOI: 10.1073/pnas.0706487104
BindingDB Entry DOI: 10.7270/Q2C82B5X
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM19428
PNG
((2E)-N-hydroxy-3-(4-{[(2-hydroxyethyl)[2-(1H-indol...)
Show SMILES OCCN(CCc1c[nH]c2ccccc12)Cc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C22H25N3O3/c26-14-13-25(12-11-19-15-23-21-4-2-1-3-20(19)21)16-18-7-5-17(6-8-18)9-10-22(27)24-28/h1-10,15,23,26,28H,11-14,16H2,(H,24,27)/b10-9+
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n/an/a 1n/an/an/an/an/an/a



Istituto di Ricerche di Biologia Molecolare

Curated by ChEMBL


Assay Description
Inhibition of flag-tagged HDAC4 by Biomol assay


Proc Natl Acad Sci USA 104: 17335-40 (2007)


Article DOI: 10.1073/pnas.0706487104
BindingDB Entry DOI: 10.7270/Q2C82B5X
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50238632
PNG
((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O |r|
Show InChI InChI=1S/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22-,26-,27-,29+,30-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Istituto di Ricerche di Biologia Molecolare

Curated by ChEMBL


Assay Description
Inhibition of flag-tagged HDAC4


Proc Natl Acad Sci USA 104: 17335-40 (2007)


Article DOI: 10.1073/pnas.0706487104
BindingDB Entry DOI: 10.7270/Q2C82B5X
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50238632
PNG
((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O |r|
Show InChI InChI=1S/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22-,26-,27-,29+,30-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Istituto di Ricerche di Biologia Molecolare

Curated by ChEMBL


Assay Description
Inhibition of flag-tagged HDAC4 by Biomol assay


Proc Natl Acad Sci USA 104: 17335-40 (2007)


Article DOI: 10.1073/pnas.0706487104
BindingDB Entry DOI: 10.7270/Q2C82B5X
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM19428
PNG
((2E)-N-hydroxy-3-(4-{[(2-hydroxyethyl)[2-(1H-indol...)
Show SMILES OCCN(CCc1c[nH]c2ccccc12)Cc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C22H25N3O3/c26-14-13-25(12-11-19-15-23-21-4-2-1-3-20(19)21)16-18-7-5-17(6-8-18)9-10-22(27)24-28/h1-10,15,23,26,28H,11-14,16H2,(H,24,27)/b10-9+
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n/an/a 1.20n/an/an/an/an/an/a



Istituto di Ricerche di Biologia Molecolare

Curated by ChEMBL


Assay Description
Inhibition of flag-tagged HDAC4


Proc Natl Acad Sci USA 104: 17335-40 (2007)


Article DOI: 10.1073/pnas.0706487104
BindingDB Entry DOI: 10.7270/Q2C82B5X
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50238632
PNG
((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O |r|
Show InChI InChI=1S/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22-,26-,27-,29+,30-/m0/s1
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Istituto di Ricerche di Biologia Molecolare

Curated by ChEMBL


Assay Description
Inhibition of flag-tagged HDAC4 by pull-down assay


Proc Natl Acad Sci USA 104: 17335-40 (2007)


Article DOI: 10.1073/pnas.0706487104
BindingDB Entry DOI: 10.7270/Q2C82B5X
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM19428
PNG
((2E)-N-hydroxy-3-(4-{[(2-hydroxyethyl)[2-(1H-indol...)
Show SMILES OCCN(CCc1c[nH]c2ccccc12)Cc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C22H25N3O3/c26-14-13-25(12-11-19-15-23-21-4-2-1-3-20(19)21)16-18-7-5-17(6-8-18)9-10-22(27)24-28/h1-10,15,23,26,28H,11-14,16H2,(H,24,27)/b10-9+
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n/an/a 2.5n/an/an/an/an/an/a



Istituto di Ricerche di Biologia Molecolare

Curated by ChEMBL


Assay Description
Inhibition of HDAC4 catalytic domain expressed in HEK293 cells by Biomol assay


Proc Natl Acad Sci USA 104: 17335-40 (2007)


Article DOI: 10.1073/pnas.0706487104
BindingDB Entry DOI: 10.7270/Q2C82B5X
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50238632
PNG
((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O |r|
Show InChI InChI=1S/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22-,26-,27-,29+,30-/m0/s1
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Istituto di Ricerche di Biologia Molecolare

Curated by ChEMBL


Assay Description
Inhibition of flag-tagged HDAC3


Proc Natl Acad Sci USA 104: 17335-40 (2007)


Article DOI: 10.1073/pnas.0706487104
BindingDB Entry DOI: 10.7270/Q2C82B5X
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM19428
PNG
((2E)-N-hydroxy-3-(4-{[(2-hydroxyethyl)[2-(1H-indol...)
Show SMILES OCCN(CCc1c[nH]c2ccccc12)Cc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C22H25N3O3/c26-14-13-25(12-11-19-15-23-21-4-2-1-3-20(19)21)16-18-7-5-17(6-8-18)9-10-22(27)24-28/h1-10,15,23,26,28H,11-14,16H2,(H,24,27)/b10-9+
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n/an/a 3n/an/an/an/an/an/a



Istituto di Ricerche di Biologia Molecolare

Curated by ChEMBL


Assay Description
Inhibition of flag-tagged HDAC4 expressed in HEK293 cells by Biomol assay


Proc Natl Acad Sci USA 104: 17335-40 (2007)


Article DOI: 10.1073/pnas.0706487104
BindingDB Entry DOI: 10.7270/Q2C82B5X
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM19428
PNG
((2E)-N-hydroxy-3-(4-{[(2-hydroxyethyl)[2-(1H-indol...)
Show SMILES OCCN(CCc1c[nH]c2ccccc12)Cc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C22H25N3O3/c26-14-13-25(12-11-19-15-23-21-4-2-1-3-20(19)21)16-18-7-5-17(6-8-18)9-10-22(27)24-28/h1-10,15,23,26,28H,11-14,16H2,(H,24,27)/b10-9+
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n/an/a 4n/an/an/an/an/an/a



Istituto di Ricerche di Biologia Molecolare

Curated by ChEMBL


Assay Description
Inhibition of flag-tagged HDAC4 by pull-down assay


Proc Natl Acad Sci USA 104: 17335-40 (2007)


Article DOI: 10.1073/pnas.0706487104
BindingDB Entry DOI: 10.7270/Q2C82B5X
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM25168
PNG
(2-N-hydroxy-5-N-[(1R)-1-phenylethyl]thiophene-2,5-...)
Show SMILES C[C@@H](NC(=O)c1ccc(s1)C(=O)NO)c1ccccc1 |r|
Show InChI InChI=1S/C14H14N2O3S/c1-9(10-5-3-2-4-6-10)15-13(17)11-7-8-12(20-11)14(18)16-19/h2-9,19H,1H3,(H,15,17)(H,16,18)/t9-/m1/s1
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n/an/a 6n/an/an/an/a8.037



IRBM/Merck



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 18: 3456-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.026
BindingDB Entry DOI: 10.7270/Q2MS3R28
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM25168
PNG
(2-N-hydroxy-5-N-[(1R)-1-phenylethyl]thiophene-2,5-...)
Show SMILES C[C@@H](NC(=O)c1ccc(s1)C(=O)NO)c1ccccc1 |r|
Show InChI InChI=1S/C14H14N2O3S/c1-9(10-5-3-2-4-6-10)15-13(17)11-7-8-12(20-11)14(18)16-19/h2-9,19H,1H3,(H,15,17)(H,16,18)/t9-/m1/s1
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n/an/a 10n/an/an/an/an/a25



IRBM/Merck



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 18: 3456-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.026
BindingDB Entry DOI: 10.7270/Q2MS3R28
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM25172
PNG
(1-[5-(2,3-dihydro-1H-indol-1-ylcarbonyl)thiophen-2...)
Show SMILES FC(F)C(=O)c1ccc(s1)C(=O)N1CCc2ccccc12
Show InChI InChI=1S/C15H11F2NO2S/c16-14(17)13(19)11-5-6-12(21-11)15(20)18-8-7-9-3-1-2-4-10(9)18/h1-6,14H,7-8H2
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n/an/a 15n/an/an/an/an/a25



IRBM/Merck



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 18: 3456-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.026
BindingDB Entry DOI: 10.7270/Q2MS3R28
More data for this
Ligand-Target Pair
Histone Deacetylase 4 (HDAC4) Mutant (H976Y)


(Homo sapiens (Human))
BDBM25160
PNG
(N-[(4-methoxyphenyl)methyl]-5-(2,2,2-trifluoroacet...)
Show SMILES COc1ccc(CNC(=O)c2ccc(s2)C(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C15H12F3NO3S/c1-22-10-4-2-9(3-5-10)8-19-14(21)12-7-6-11(23-12)13(20)15(16,17)18/h2-7H,8H2,1H3,(H,19,21)
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n/an/a 70n/an/an/an/an/a25



IRBM/Merck



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 18: 3456-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.026
BindingDB Entry DOI: 10.7270/Q2MS3R28
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM25158
PNG
(CHEMBL507716 | N-[(1R)-1-phenylethyl]-5-(2,2,2-tri...)
Show SMILES C[C@@H](NC(=O)c1ccc(s1)C(=O)C(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C15H12F3NO2S/c1-9(10-5-3-2-4-6-10)19-14(21)12-8-7-11(22-12)13(20)15(16,17)18/h2-9H,1H3,(H,19,21)/t9-/m1/s1
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n/an/a 76n/an/an/an/an/a25



IRBM/Merck



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 18: 3456-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.026
BindingDB Entry DOI: 10.7270/Q2MS3R28
More data for this
Ligand-Target Pair
Histone Deacetylase 4 (HDAC4) Mutant (H976Y)


(Homo sapiens (Human))
BDBM25163
PNG
(CHEMBL497332 | N-methyl-N-(quinoxalin-6-ylmethyl)-...)
Show SMILES CN(Cc1ccc2nccnc2c1)C(=O)c1ccc(s1)C(=O)C(F)(F)F
Show InChI InChI=1S/C17H12F3N3O2S/c1-23(9-10-2-3-11-12(8-10)22-7-6-21-11)16(25)14-5-4-13(26-14)15(24)17(18,19)20/h2-8H,9H2,1H3
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n/an/a 87n/an/an/an/an/a25



IRBM/Merck



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 18: 3456-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.026
BindingDB Entry DOI: 10.7270/Q2MS3R28
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50377931
PNG
(CHEMBL1791402)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](N)Cc1cn(OC)c2ccccc12)C(=O)N1CCCC[C@@H]1C(=O)N[C@@H](CCCCCC(=O)CC)C(O)=O |r|
Show InChI InChI=1S/C34H51N5O7/c1-5-22(3)30(37-31(41)26(35)20-23-21-39(46-4)28-17-11-10-15-25(23)28)33(43)38-19-13-12-18-29(38)32(42)36-27(34(44)45)16-9-7-8-14-24(40)6-2/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20,35H2,1-4H3,(H,36,42)(H,37,41)(H,44,45)/t22-,26+,27+,29-,30+/m1/s1
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n/an/a 88n/an/an/an/an/an/a



Istituto di Ricerche di Biologia Molecolare

Curated by ChEMBL


Assay Description
Inhibition of flag-tagged HDAC4 by Biomol assay


Proc Natl Acad Sci USA 104: 17335-40 (2007)


Article DOI: 10.1073/pnas.0706487104
BindingDB Entry DOI: 10.7270/Q2C82B5X
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM25163
PNG
(CHEMBL497332 | N-methyl-N-(quinoxalin-6-ylmethyl)-...)
Show SMILES CN(Cc1ccc2nccnc2c1)C(=O)c1ccc(s1)C(=O)C(F)(F)F
Show InChI InChI=1S/C17H12F3N3O2S/c1-23(9-10-2-3-11-12(8-10)22-7-6-21-11)16(25)14-5-4-13(26-14)15(24)17(18,19)20/h2-8H,9H2,1H3
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IRBM/Merck



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 18: 3456-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.026
BindingDB Entry DOI: 10.7270/Q2MS3R28
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM25163
PNG
(CHEMBL497332 | N-methyl-N-(quinoxalin-6-ylmethyl)-...)
Show SMILES CN(Cc1ccc2nccnc2c1)C(=O)c1ccc(s1)C(=O)C(F)(F)F
Show InChI InChI=1S/C17H12F3N3O2S/c1-23(9-10-2-3-11-12(8-10)22-7-6-21-11)16(25)14-5-4-13(26-14)15(24)17(18,19)20/h2-8H,9H2,1H3
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n/an/a 98n/an/an/an/an/a25



IRBM/Merck



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 18: 3456-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.026
BindingDB Entry DOI: 10.7270/Q2MS3R28
More data for this
Ligand-Target Pair
Histone Deacetylase 4 (HDAC4) Mutant (H976Y)


(Homo sapiens (Human))
BDBM25168
PNG
(2-N-hydroxy-5-N-[(1R)-1-phenylethyl]thiophene-2,5-...)
Show SMILES C[C@@H](NC(=O)c1ccc(s1)C(=O)NO)c1ccccc1 |r|
Show InChI InChI=1S/C14H14N2O3S/c1-9(10-5-3-2-4-6-10)15-13(17)11-7-8-12(20-11)14(18)16-19/h2-9,19H,1H3,(H,15,17)(H,16,18)/t9-/m1/s1
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IRBM/Merck



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 18: 3456-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.026
BindingDB Entry DOI: 10.7270/Q2MS3R28
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM25160
PNG
(N-[(4-methoxyphenyl)methyl]-5-(2,2,2-trifluoroacet...)
Show SMILES COc1ccc(CNC(=O)c2ccc(s2)C(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C15H12F3NO3S/c1-22-10-4-2-9(3-5-10)8-19-14(21)12-7-6-11(23-12)13(20)15(16,17)18/h2-7H,8H2,1H3,(H,19,21)
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IRBM/Merck



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 18: 3456-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.026
BindingDB Entry DOI: 10.7270/Q2MS3R28
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM25162
PNG
(1-[5-(2,3-dihydro-1H-indol-1-ylcarbonyl)thiophen-2...)
Show SMILES FC(F)(F)C(=O)c1ccc(s1)C(=O)N1CCc2ccccc12
Show InChI InChI=1S/C15H10F3NO2S/c16-15(17,18)13(20)11-5-6-12(22-11)14(21)19-8-7-9-3-1-2-4-10(9)19/h1-6H,7-8H2
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IRBM/Merck



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 18: 3456-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.026
BindingDB Entry DOI: 10.7270/Q2MS3R28
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50377931
PNG
(CHEMBL1791402)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](N)Cc1cn(OC)c2ccccc12)C(=O)N1CCCC[C@@H]1C(=O)N[C@@H](CCCCCC(=O)CC)C(O)=O |r|
Show InChI InChI=1S/C34H51N5O7/c1-5-22(3)30(37-31(41)26(35)20-23-21-39(46-4)28-17-11-10-15-25(23)28)33(43)38-19-13-12-18-29(38)32(42)36-27(34(44)45)16-9-7-8-14-24(40)6-2/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20,35H2,1-4H3,(H,36,42)(H,37,41)(H,44,45)/t22-,26+,27+,29-,30+/m1/s1
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n/an/a 152n/an/an/an/an/an/a



Istituto di Ricerche di Biologia Molecolare

Curated by ChEMBL


Assay Description
Inhibition of flag-tagged HDAC4 by pull-down assay


Proc Natl Acad Sci USA 104: 17335-40 (2007)


Article DOI: 10.1073/pnas.0706487104
BindingDB Entry DOI: 10.7270/Q2C82B5X
More data for this
Ligand-Target Pair
Histone Deacetylase 4 (HDAC4) Mutant (H976Y)


(Homo sapiens (Human))
BDBM25158
PNG
(CHEMBL507716 | N-[(1R)-1-phenylethyl]-5-(2,2,2-tri...)
Show SMILES C[C@@H](NC(=O)c1ccc(s1)C(=O)C(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C15H12F3NO2S/c1-9(10-5-3-2-4-6-10)19-14(21)12-8-7-11(22-12)13(20)15(16,17)18/h2-9H,1H3,(H,19,21)/t9-/m1/s1
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IRBM/Merck



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 18: 3456-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.026
BindingDB Entry DOI: 10.7270/Q2MS3R28
More data for this
Ligand-Target Pair
Histone Deacetylase 4 (HDAC4) Mutant (H976Y)


(Homo sapiens (Human))
BDBM25157
PNG
(CHEMBL462209 | N-benzyl-N-methyl-5-(2,2,2-trifluor...)
Show SMILES CN(Cc1ccccc1)C(=O)c1ccc(s1)C(=O)C(F)(F)F
Show InChI InChI=1S/C15H12F3NO2S/c1-19(9-10-5-3-2-4-6-10)14(21)12-8-7-11(22-12)13(20)15(16,17)18/h2-8H,9H2,1H3
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IRBM/Merck



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 18: 3456-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.026
BindingDB Entry DOI: 10.7270/Q2MS3R28
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM25159
PNG
(CHEMBL462208 | N-[(1S)-1-phenylethyl]-5-(2,2,2-tri...)
Show SMILES C[C@H](NC(=O)c1ccc(s1)C(=O)C(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C15H12F3NO2S/c1-9(10-5-3-2-4-6-10)19-14(21)12-8-7-11(22-12)13(20)15(16,17)18/h2-9H,1H3,(H,19,21)/t9-/m0/s1
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IRBM/Merck



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 18: 3456-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.026
BindingDB Entry DOI: 10.7270/Q2MS3R28
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM25160
PNG
(N-[(4-methoxyphenyl)methyl]-5-(2,2,2-trifluoroacet...)
Show SMILES COc1ccc(CNC(=O)c2ccc(s2)C(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C15H12F3NO3S/c1-22-10-4-2-9(3-5-10)8-19-14(21)12-7-6-11(23-12)13(20)15(16,17)18/h2-7H,8H2,1H3,(H,19,21)
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IRBM/Merck



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 18: 3456-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.026
BindingDB Entry DOI: 10.7270/Q2MS3R28
More data for this
Ligand-Target Pair
Histone Deacetylase 4 (HDAC4) Mutant (H976Y)


(Homo sapiens (Human))
BDBM25156
PNG
(N-(2-phenylethyl)-5-(2,2,2-trifluoroacetyl)thiophe...)
Show SMILES FC(F)(F)C(=O)c1ccc(s1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C15H12F3NO2S/c16-15(17,18)13(20)11-6-7-12(22-11)14(21)19-9-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,19,21)
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IRBM/Merck



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 18: 3456-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.026
BindingDB Entry DOI: 10.7270/Q2MS3R28
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM25162
PNG
(1-[5-(2,3-dihydro-1H-indol-1-ylcarbonyl)thiophen-2...)
Show SMILES FC(F)(F)C(=O)c1ccc(s1)C(=O)N1CCc2ccccc12
Show InChI InChI=1S/C15H10F3NO2S/c16-15(17,18)13(20)11-5-6-12(22-11)14(21)19-8-7-9-3-1-2-4-10(9)19/h1-6H,7-8H2
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IRBM/Merck



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 18: 3456-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.026
BindingDB Entry DOI: 10.7270/Q2MS3R28
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM25160
PNG
(N-[(4-methoxyphenyl)methyl]-5-(2,2,2-trifluoroacet...)
Show SMILES COc1ccc(CNC(=O)c2ccc(s2)C(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C15H12F3NO3S/c1-22-10-4-2-9(3-5-10)8-19-14(21)12-7-6-11(23-12)13(20)15(16,17)18/h2-7H,8H2,1H3,(H,19,21)
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n/an/a 210n/an/an/an/a8.037



IRBM/Merck



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 18: 3456-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.026
BindingDB Entry DOI: 10.7270/Q2MS3R28
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM25159
PNG
(CHEMBL462208 | N-[(1S)-1-phenylethyl]-5-(2,2,2-tri...)
Show SMILES C[C@H](NC(=O)c1ccc(s1)C(=O)C(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C15H12F3NO2S/c1-9(10-5-3-2-4-6-10)19-14(21)12-8-7-11(22-12)13(20)15(16,17)18/h2-9H,1H3,(H,19,21)/t9-/m0/s1
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IRBM/Merck



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 18: 3456-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.026
BindingDB Entry DOI: 10.7270/Q2MS3R28
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM25156
PNG
(N-(2-phenylethyl)-5-(2,2,2-trifluoroacetyl)thiophe...)
Show SMILES FC(F)(F)C(=O)c1ccc(s1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C15H12F3NO2S/c16-15(17,18)13(20)11-6-7-12(22-11)14(21)19-9-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,19,21)
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IRBM/Merck



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 18: 3456-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.026
BindingDB Entry DOI: 10.7270/Q2MS3R28
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM25157
PNG
(CHEMBL462209 | N-benzyl-N-methyl-5-(2,2,2-trifluor...)
Show SMILES CN(Cc1ccccc1)C(=O)c1ccc(s1)C(=O)C(F)(F)F
Show InChI InChI=1S/C15H12F3NO2S/c1-19(9-10-5-3-2-4-6-10)14(21)12-8-7-11(22-12)13(20)15(16,17)18/h2-8H,9H2,1H3
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n/an/a 230n/an/an/an/an/a25



IRBM/Merck



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 18: 3456-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.026
BindingDB Entry DOI: 10.7270/Q2MS3R28
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM25158
PNG
(CHEMBL507716 | N-[(1R)-1-phenylethyl]-5-(2,2,2-tri...)
Show SMILES C[C@@H](NC(=O)c1ccc(s1)C(=O)C(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C15H12F3NO2S/c1-9(10-5-3-2-4-6-10)19-14(21)12-8-7-11(22-12)13(20)15(16,17)18/h2-9H,1H3,(H,19,21)/t9-/m1/s1
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IRBM/Merck



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 18: 3456-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.026
BindingDB Entry DOI: 10.7270/Q2MS3R28
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM25160
PNG
(N-[(4-methoxyphenyl)methyl]-5-(2,2,2-trifluoroacet...)
Show SMILES COc1ccc(CNC(=O)c2ccc(s2)C(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C15H12F3NO3S/c1-22-10-4-2-9(3-5-10)8-19-14(21)12-7-6-11(23-12)13(20)15(16,17)18/h2-7H,8H2,1H3,(H,19,21)
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IRBM/Merck



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 18: 3456-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.026
BindingDB Entry DOI: 10.7270/Q2MS3R28
More data for this
Ligand-Target Pair
Histone Deacetylase 4 (HDAC4) Mutant (H976Y)


(Homo sapiens (Human))
BDBM25159
PNG
(CHEMBL462208 | N-[(1S)-1-phenylethyl]-5-(2,2,2-tri...)
Show SMILES C[C@H](NC(=O)c1ccc(s1)C(=O)C(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C15H12F3NO2S/c1-9(10-5-3-2-4-6-10)19-14(21)12-8-7-11(22-12)13(20)15(16,17)18/h2-9H,1H3,(H,19,21)/t9-/m0/s1
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IRBM/Merck



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 18: 3456-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.026
BindingDB Entry DOI: 10.7270/Q2MS3R28
More data for this
Ligand-Target Pair
Histone Deacetylase 4 (HDAC4) Mutant (H976Y)


(Homo sapiens (Human))
BDBM25162
PNG
(1-[5-(2,3-dihydro-1H-indol-1-ylcarbonyl)thiophen-2...)
Show SMILES FC(F)(F)C(=O)c1ccc(s1)C(=O)N1CCc2ccccc12
Show InChI InChI=1S/C15H10F3NO2S/c16-15(17,18)13(20)11-5-6-12(22-11)14(21)19-8-7-9-3-1-2-4-10(9)19/h1-6H,7-8H2
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n/an/a 300n/an/an/an/an/a25



IRBM/Merck



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 18: 3456-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.026
BindingDB Entry DOI: 10.7270/Q2MS3R28
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM25155
PNG
(CHEMBL462146 | N-ethyl-5-(2,2,2-trifluoroacetyl)th...)
Show SMILES CCNC(=O)c1ccc(s1)C(=O)C(F)(F)F
Show InChI InChI=1S/C9H8F3NO2S/c1-2-13-8(15)6-4-3-5(16-6)7(14)9(10,11)12/h3-4H,2H2,1H3,(H,13,15)
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n/an/a 310n/an/an/an/an/a25



IRBM/Merck



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 18: 3456-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.026
BindingDB Entry DOI: 10.7270/Q2MS3R28
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM25164
PNG
(2,2,2-trifluoro-1-[5-({3-phenyl-5H,6H,7H,8H-imidaz...)
Show SMILES FC(F)(F)C(=O)c1ccc(s1)C(=O)N1CCn2c(C1)ncc2-c1ccccc1
Show InChI InChI=1S/C19H14F3N3O2S/c20-19(21,22)17(26)14-6-7-15(28-14)18(27)24-8-9-25-13(10-23-16(25)11-24)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2
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n/an/a 310n/an/an/an/an/a25



IRBM/Merck



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 18: 3456-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.026
BindingDB Entry DOI: 10.7270/Q2MS3R28
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM25164
PNG
(2,2,2-trifluoro-1-[5-({3-phenyl-5H,6H,7H,8H-imidaz...)
Show SMILES FC(F)(F)C(=O)c1ccc(s1)C(=O)N1CCn2c(C1)ncc2-c1ccccc1
Show InChI InChI=1S/C19H14F3N3O2S/c20-19(21,22)17(26)14-6-7-15(28-14)18(27)24-8-9-25-13(10-23-16(25)11-24)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2
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n/an/a 320n/an/an/an/an/a25



IRBM/Merck



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 18: 3456-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.026
BindingDB Entry DOI: 10.7270/Q2MS3R28
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM25153
PNG
(ethyl 5-(2,2,2-trifluoroacetyl)thiophene-2-carboxy...)
Show SMILES CCOC(=O)c1ccc(s1)C(=O)C(F)(F)F
Show InChI InChI=1S/C9H7F3O3S/c1-2-15-8(14)6-4-3-5(16-6)7(13)9(10,11)12/h3-4H,2H2,1H3
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n/an/a 320n/an/an/an/an/a25



IRBM/Merck



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 18: 3456-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.026
BindingDB Entry DOI: 10.7270/Q2MS3R28
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM25158
PNG
(CHEMBL507716 | N-[(1R)-1-phenylethyl]-5-(2,2,2-tri...)
Show SMILES C[C@@H](NC(=O)c1ccc(s1)C(=O)C(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C15H12F3NO2S/c1-9(10-5-3-2-4-6-10)19-14(21)12-8-7-11(22-12)13(20)15(16,17)18/h2-9H,1H3,(H,19,21)/t9-/m1/s1
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n/an/a 320n/an/an/an/a8.037



IRBM/Merck



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 18: 3456-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.026
BindingDB Entry DOI: 10.7270/Q2MS3R28
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM25156
PNG
(N-(2-phenylethyl)-5-(2,2,2-trifluoroacetyl)thiophe...)
Show SMILES FC(F)(F)C(=O)c1ccc(s1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C15H12F3NO2S/c16-15(17,18)13(20)11-6-7-12(22-11)14(21)19-9-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,19,21)
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n/an/a 330n/an/an/an/an/a25



IRBM/Merck



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 18: 3456-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.026
BindingDB Entry DOI: 10.7270/Q2MS3R28
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM25179
PNG
(N-benzyl-N-methyl-5-(2,2,2-trifluoroacetyl)thiophe...)
Show SMILES CN(Cc1ccccc1)S(=O)(=O)c1ccc(s1)C(=O)C(F)(F)F
Show InChI InChI=1S/C14H12F3NO3S2/c1-18(9-10-5-3-2-4-6-10)23(20,21)12-8-7-11(22-12)13(19)14(15,16)17/h2-8H,9H2,1H3
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n/an/a 340n/an/an/an/an/a25



IRBM/Merck



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 18: 3456-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.026
BindingDB Entry DOI: 10.7270/Q2MS3R28
More data for this
Ligand-Target Pair
Histone Deacetylase 4 (HDAC4) Mutant (H976Y)


(Homo sapiens (Human))
BDBM25161
PNG
(N-(cyclohexylmethyl)-5-(2,2,2-trifluoroacetyl)thio...)
Show SMILES FC(F)(F)C(=O)c1ccc(s1)C(=O)NCC1CCCCC1
Show InChI InChI=1S/C14H16F3NO2S/c15-14(16,17)12(19)10-6-7-11(21-10)13(20)18-8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,18,20)
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n/an/a 350n/an/an/an/an/a25



IRBM/Merck



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 18: 3456-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.026
BindingDB Entry DOI: 10.7270/Q2MS3R28
More data for this
Ligand-Target Pair
Histone Deacetylase 4 (HDAC4) Mutant (H976Y)


(Homo sapiens (Human))
BDBM25153
PNG
(ethyl 5-(2,2,2-trifluoroacetyl)thiophene-2-carboxy...)
Show SMILES CCOC(=O)c1ccc(s1)C(=O)C(F)(F)F
Show InChI InChI=1S/C9H7F3O3S/c1-2-15-8(14)6-4-3-5(16-6)7(13)9(10,11)12/h3-4H,2H2,1H3
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n/an/a 350n/an/an/an/an/a25



IRBM/Merck



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 18: 3456-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.026
BindingDB Entry DOI: 10.7270/Q2MS3R28
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM25158
PNG
(CHEMBL507716 | N-[(1R)-1-phenylethyl]-5-(2,2,2-tri...)
Show SMILES C[C@@H](NC(=O)c1ccc(s1)C(=O)C(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C15H12F3NO2S/c1-9(10-5-3-2-4-6-10)19-14(21)12-8-7-11(22-12)13(20)15(16,17)18/h2-9H,1H3,(H,19,21)/t9-/m1/s1
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n/an/a 360n/an/an/an/an/a25



IRBM/Merck



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 18: 3456-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.026
BindingDB Entry DOI: 10.7270/Q2MS3R28
More data for this
Ligand-Target Pair
Histone Deacetylase 4 (HDAC4) Mutant (H976Y)


(Homo sapiens (Human))
BDBM25164
PNG
(2,2,2-trifluoro-1-[5-({3-phenyl-5H,6H,7H,8H-imidaz...)
Show SMILES FC(F)(F)C(=O)c1ccc(s1)C(=O)N1CCn2c(C1)ncc2-c1ccccc1
Show InChI InChI=1S/C19H14F3N3O2S/c20-19(21,22)17(26)14-6-7-15(28-14)18(27)24-8-9-25-13(10-23-16(25)11-24)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2
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n/an/a 370n/an/an/an/an/a25



IRBM/Merck



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 18: 3456-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.026
BindingDB Entry DOI: 10.7270/Q2MS3R28
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM25161
PNG
(N-(cyclohexylmethyl)-5-(2,2,2-trifluoroacetyl)thio...)
Show SMILES FC(F)(F)C(=O)c1ccc(s1)C(=O)NCC1CCCCC1
Show InChI InChI=1S/C14H16F3NO2S/c15-14(16,17)12(19)10-6-7-11(21-10)13(20)18-8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,18,20)
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n/an/a 400n/an/an/an/an/a25



IRBM/Merck



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 18: 3456-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.026
BindingDB Entry DOI: 10.7270/Q2MS3R28
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM25177
PNG
(2,2,2-trifluoro-1-(5-{[(4-methoxyphenyl)methoxy]me...)
Show SMILES COc1ccc(COCc2ccc(s2)C(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C15H13F3O3S/c1-20-11-4-2-10(3-5-11)8-21-9-12-6-7-13(22-12)14(19)15(16,17)18/h2-7H,8-9H2,1H3
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n/an/a 410n/an/an/an/an/a25



IRBM/Merck



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 18: 3456-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.026
BindingDB Entry DOI: 10.7270/Q2MS3R28
More data for this
Ligand-Target Pair
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