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Compile Data Set for Download or QSAR

Found 185 hits with Last Name = 'loidl' 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 4


(Homo sapiens (Human))
BDBM50134803
PNG
(5,8-Dimethyl-11-(6-oxiranyl-6-oxo-hexyl)-decahydro...)
Show SMILES C[C@@H]1NC(=O)[C@H](CCCCCC(=O)C2CO2)NC(=O)[C@H]2CCCN2C(=O)[C@H](C)NC1=O
Show InChI InChI=1S/C21H32N4O6/c1-12-18(27)23-13(2)21(30)25-10-6-8-15(25)20(29)24-14(19(28)22-12)7-4-3-5-9-16(26)17-11-31-17/h12-15,17H,3-11H2,1-2H3,(H,22,28)(H,23,27)(H,24,29)/t12-,13-,14-,15+,17?/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Universit£ degli Studi di Roma"La Sapienza"

Curated by ChEMBL


Assay Description
Inhibition of Histone deacetylase 4 in mammalian cells.


J Med Chem 46: 4826-9 (2003)


Article DOI: 10.1021/jm034167p
BindingDB Entry DOI: 10.7270/Q28C9X0G
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Mus musculus (Mouse))
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 2n/an/an/an/an/an/a



Università degli Studi di Roma "La Sapienza"

Curated by ChEMBL


Assay Description
Inhibition of mouse HDAC1


J Med Chem 47: 1351-9 (2004)


Article DOI: 10.1021/jm031036f
BindingDB Entry DOI: 10.7270/Q2X63MCK
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Mus musculus (Mouse))
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 2n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
In vitro for anti-HDAC1 (Histone deacetylase 1) activity in mouse A20 cells


J Med Chem 45: 1778-84 (2002)


BindingDB Entry DOI: 10.7270/Q2C53K55
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50134799
PNG
(6-((5S,8S,11S,13aR)-5,8-Dimethyl-4,7,10,13-tetraox...)
Show SMILES C[C@@H]1NC(=O)[C@H](CCCCCC(=O)NO)NC(=O)[C@H]2CCCN2C(=O)[C@H](C)NC1=O
Show InChI InChI=1S/C19H31N5O6/c1-11-16(26)21-12(2)19(29)24-10-6-8-14(24)18(28)22-13(17(27)20-11)7-4-3-5-9-15(25)23-30/h11-14,30H,3-10H2,1-2H3,(H,20,27)(H,21,26)(H,22,28)(H,23,25)/t11-,12-,13-,14+/m0/s1
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n/an/a 2.70n/an/an/an/an/an/a



Universit£ degli Studi di Roma"La Sapienza"

Curated by ChEMBL


Assay Description
Inhibition of Histone deacetylase 4 in mammalian cells.


J Med Chem 46: 4826-9 (2003)


Article DOI: 10.1021/jm034167p
BindingDB Entry DOI: 10.7270/Q28C9X0G
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
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 3n/an/an/an/an/an/a



Westfälische Wilhelms-Universität Münster

Curated by ChEMBL


Assay Description
Inhibition of in vitro enzyme activity measured in a highly purified maize Histone deacetylase 2 preparation


J Med Chem 45: 3296-309 (2002)


BindingDB Entry DOI: 10.7270/Q247497N
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
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 3n/an/an/an/an/an/a



Westfälische Wilhelms-Universität Münster

Curated by ChEMBL


Assay Description
Inhibition of maize Histone deacetylase 2 (HD-2) activity


J Med Chem 42: 4669-79 (1999)


BindingDB Entry DOI: 10.7270/Q2PC31M7
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
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 7n/an/an/an/an/an/a



Universit£ degli Studi di Roma"La Sapienza"

Curated by ChEMBL


Assay Description
Inhibitory concentration against maize histone deacetylase 2


J Med Chem 48: 3344-53 (2005)


Article DOI: 10.1021/jm049002a
BindingDB Entry DOI: 10.7270/Q2222VKN
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
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 7n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
In vitro for anti-HD2 (Histone deacetylase 2) activity in maize


J Med Chem 45: 1778-84 (2002)


BindingDB Entry DOI: 10.7270/Q2C53K55
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
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 7.10n/an/an/an/an/an/a



Università degli Studi di Roma "La Sapienza"

Curated by ChEMBL


Assay Description
Inhibition of maize Histone deacetylase 2


J Med Chem 47: 1351-9 (2004)


Article DOI: 10.1021/jm031036f
BindingDB Entry DOI: 10.7270/Q2X63MCK
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
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 7.20n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Concentration required for inhibition of histone deacetylase HD2 in vitro.


J Med Chem 47: 1098-109 (2004)

Checked by Author
Article DOI: 10.1021/jm030990+
BindingDB Entry DOI: 10.7270/Q24X5773
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
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 7.20n/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibitory concentration against histone deacetylase activity


J Med Chem 44: 2069-72 (2001)


BindingDB Entry DOI: 10.7270/Q2959GT3
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
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 7.20n/an/an/an/an/an/a



Università degli Studi di Roma "La Sapienza"

Curated by ChEMBL


Assay Description
Inhibition of maize histone deacetylase 2


J Med Chem 47: 1351-9 (2004)


Article DOI: 10.1021/jm031036f
BindingDB Entry DOI: 10.7270/Q2X63MCK
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
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 7.20n/an/an/an/an/an/a



Universit£ degli Studi di Roma"La Sapienza"

Curated by ChEMBL


Assay Description
Inhibitory activity against maize Histone deacetylase 2 at 1 mM


J Med Chem 46: 4826-9 (2003)


Article DOI: 10.1021/jm034167p
BindingDB Entry DOI: 10.7270/Q28C9X0G
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM50422364
PNG
(TRAPOXIN B)
Show SMILES O=C(CCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H]1CO1
Show InChI InChI=1S/C33H40N4O6/c38-28(29-21-43-29)17-9-3-8-15-24-30(39)35-25(19-22-11-4-1-5-12-22)31(40)36-26(20-23-13-6-2-7-14-23)33(42)37-18-10-16-27(37)32(41)34-24/h1-2,4-7,11-14,24-27,29H,3,8-10,15-21H2,(H,34,41)(H,35,39)(H,36,40)/t24-,25-,26-,27+,29-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Universit£ degli Studi di Roma"La Sapienza"

Curated by ChEMBL


Assay Description
Inhibitory concentration against maize histone deacetylase 2


J Med Chem 48: 3344-53 (2005)


Article DOI: 10.1021/jm049002a
BindingDB Entry DOI: 10.7270/Q2222VKN
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM50134805
PNG
(6,9-Dibenzyl-12-(6-oxiranyl-6-oxo-hexyl)-decahydro...)
Show SMILES O=C(CCCCC[C@@H]1NC(=O)[C@H]2CCCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C1CO1
Show InChI InChI=1S/C34H42N4O6/c39-29(30-22-44-30)18-9-3-8-16-25-31(40)36-26(20-23-12-4-1-5-13-23)32(41)37-27(21-24-14-6-2-7-15-24)34(43)38-19-11-10-17-28(38)33(42)35-25/h1-2,4-7,12-15,25-28,30H,3,8-11,16-22H2,(H,35,42)(H,36,40)(H,37,41)/t25-,26-,27-,28+,30?/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Universit£ degli Studi di Roma"La Sapienza"

Curated by ChEMBL


Assay Description
Inhibitory concentration against maize histone deacetylase 2


J Med Chem 48: 3344-53 (2005)


Article DOI: 10.1021/jm049002a
BindingDB Entry DOI: 10.7270/Q2222VKN
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM50422364
PNG
(TRAPOXIN B)
Show SMILES O=C(CCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H]1CO1
Show InChI InChI=1S/C33H40N4O6/c38-28(29-21-43-29)17-9-3-8-15-24-30(39)35-25(19-22-11-4-1-5-12-22)31(40)36-26(20-23-13-6-2-7-14-23)33(42)37-18-10-16-27(37)32(41)34-24/h1-2,4-7,11-14,24-27,29H,3,8-10,15-21H2,(H,34,41)(H,35,39)(H,36,40)/t24-,25-,26-,27+,29-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibitory concentration against histone deacetylase activity


J Med Chem 44: 2069-72 (2001)


BindingDB Entry DOI: 10.7270/Q2959GT3
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM50134805
PNG
(6,9-Dibenzyl-12-(6-oxiranyl-6-oxo-hexyl)-decahydro...)
Show SMILES O=C(CCCCC[C@@H]1NC(=O)[C@H]2CCCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C1CO1
Show InChI InChI=1S/C34H42N4O6/c39-29(30-22-44-30)18-9-3-8-16-25-31(40)36-26(20-23-12-4-1-5-13-23)32(41)37-27(21-24-14-6-2-7-15-24)34(43)38-19-11-10-17-28(38)33(42)35-25/h1-2,4-7,12-15,25-28,30H,3,8-11,16-22H2,(H,35,42)(H,36,40)(H,37,41)/t25-,26-,27-,28+,30?/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Concentration required for inhibition of histone deacetylase HD2 in vitro.


J Med Chem 47: 1098-109 (2004)

Checked by Author
Article DOI: 10.1021/jm030990+
BindingDB Entry DOI: 10.7270/Q24X5773
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM50115662
PNG
(CHEMBL320038 | Octanedioic acid hydroxyamide ((S)-...)
Show SMILES ONC(=O)CCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C25H33N3O4/c29-23(15-9-1-2-10-16-24(30)28-32)27-22(19-21-13-7-4-8-14-21)25(31)26-18-17-20-11-5-3-6-12-20/h3-8,11-14,22,32H,1-2,9-10,15-19H2,(H,26,31)(H,27,29)(H,28,30)/t22-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Westfälische Wilhelms-Universität Münster

Curated by ChEMBL


Assay Description
Inhibition of in vitro enzyme activity measured in a highly purified maize Histone deacetylase 1 preparation


J Med Chem 45: 3296-309 (2002)


BindingDB Entry DOI: 10.7270/Q247497N
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM50115654
PNG
(CHEMBL111993 | Octanedioic acid hydroxyamide ((S)-...)
Show SMILES ONC(=O)CCCCCCC(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C29H35N3O4/c33-27(17-6-1-2-7-18-28(34)32-36)31-26(29(35)30-20-19-22-11-4-3-5-12-22)21-24-15-10-14-23-13-8-9-16-25(23)24/h3-5,8-16,26,36H,1-2,6-7,17-21H2,(H,30,35)(H,31,33)(H,32,34)/t26-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



Westfälische Wilhelms-Universität Münster

Curated by ChEMBL


Assay Description
Inhibition of in vitro enzyme activity measured in a highly purified maize Histone deacetylase 2 preparation


J Med Chem 45: 3296-309 (2002)


BindingDB Entry DOI: 10.7270/Q247497N
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM50115657
PNG
((S)-2-(7-Hydroxycarbamoyl-heptanoylamino)-3-naphth...)
Show SMILES COC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)CCCCCCC(=O)NO
Show InChI InChI=1S/C22H28N2O5/c1-29-22(27)19(15-16-12-13-17-8-6-7-9-18(17)14-16)23-20(25)10-4-2-3-5-11-21(26)24-28/h6-9,12-14,19,28H,2-5,10-11,15H2,1H3,(H,23,25)(H,24,26)/t19-/m0/s1
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Westfälische Wilhelms-Universität Münster

Curated by ChEMBL


Assay Description
Inhibition of in vitro enzyme activity measured in a highly purified maize Histone deacetylase 2 preparation


J Med Chem 45: 3296-309 (2002)


BindingDB Entry DOI: 10.7270/Q247497N
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM50115653
PNG
(CHEMBL113095 | Octanedioic acid ((S)-1-benzylcarba...)
Show SMILES ONC(=O)CCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C24H31N3O4/c28-22(15-9-1-2-10-16-23(29)27-31)26-21(17-19-11-5-3-6-12-19)24(30)25-18-20-13-7-4-8-14-20/h3-8,11-14,21,31H,1-2,9-10,15-18H2,(H,25,30)(H,26,28)(H,27,29)/t21-/m0/s1
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Westfälische Wilhelms-Universität Münster

Curated by ChEMBL


Assay Description
Inhibition of in vitro enzyme activity measured in a highly purified maize Histone deacetylase 1 preparation


J Med Chem 45: 3296-309 (2002)


BindingDB Entry DOI: 10.7270/Q247497N
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM50139952
PNG
(CHEMBL268286 | N-Hydroxy-3-[1-methyl-4-(3-phenyl-p...)
Show SMILES Cn1cc(cc1C=CC(=O)NO)C(=O)CCc1ccccc1 |w:7.8|
Show InChI InChI=1S/C17H18N2O3/c1-19-12-14(11-15(19)8-10-17(21)18-22)16(20)9-7-13-5-3-2-4-6-13/h2-6,8,10-12,22H,7,9H2,1H3,(H,18,21)
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n/an/a 43n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Concentration required for inhibition of histone deacetylase HD2 in vitro.


J Med Chem 47: 1098-109 (2004)

Checked by Author
Article DOI: 10.1021/jm030990+
BindingDB Entry DOI: 10.7270/Q24X5773
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM50139952
PNG
(CHEMBL268286 | N-Hydroxy-3-[1-methyl-4-(3-phenyl-p...)
Show SMILES Cn1cc(cc1C=CC(=O)NO)C(=O)CCc1ccccc1 |w:7.8|
Show InChI InChI=1S/C17H18N2O3/c1-19-12-14(11-15(19)8-10-17(21)18-22)16(20)9-7-13-5-3-2-4-6-13/h2-6,8,10-12,22H,7,9H2,1H3,(H,18,21)
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Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Concentration required for inhibition of histone deacetylase HD2 in vitro.


J Med Chem 47: 1098-109 (2004)

Checked by Author
Article DOI: 10.1021/jm030990+
BindingDB Entry DOI: 10.7270/Q24X5773
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM50140882
PNG
((E)-3-(5-Benzoyl-1-methyl-1H-pyrrol-3-yl)-N-hydrox...)
Show SMILES Cn1cc(\C=C\C(=O)NO)cc1C(=O)c1ccccc1
Show InChI InChI=1S/C15H14N2O3/c1-17-10-11(7-8-14(18)16-20)9-13(17)15(19)12-5-3-2-4-6-12/h2-10,20H,1H3,(H,16,18)/b8-7+
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Università degli Studi di Roma "La Sapienza"

Curated by ChEMBL


Assay Description
Inhibition of maize histone deacetylase 2


J Med Chem 47: 1351-9 (2004)


Article DOI: 10.1021/jm031036f
BindingDB Entry DOI: 10.7270/Q2X63MCK
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
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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Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
In vitro for anti-HD2 (Histone deacetylase 2) activity in maize


J Med Chem 45: 1778-84 (2002)


BindingDB Entry DOI: 10.7270/Q2C53K55
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
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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Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibitory concentration against histone deacetylase activity


J Med Chem 44: 2069-72 (2001)


BindingDB Entry DOI: 10.7270/Q2959GT3
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
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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Università degli Studi di Roma "La Sapienza"

Curated by ChEMBL


Assay Description
Inhibition of maize histone deacetylase 2


J Med Chem 47: 1351-9 (2004)


Article DOI: 10.1021/jm031036f
BindingDB Entry DOI: 10.7270/Q2X63MCK
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM50140882
PNG
((E)-3-(5-Benzoyl-1-methyl-1H-pyrrol-3-yl)-N-hydrox...)
Show SMILES Cn1cc(\C=C\C(=O)NO)cc1C(=O)c1ccccc1
Show InChI InChI=1S/C15H14N2O3/c1-17-10-11(7-8-14(18)16-20)9-13(17)15(19)12-5-3-2-4-6-12/h2-10,20H,1H3,(H,16,18)/b8-7+
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Università degli Studi di Roma "La Sapienza"

Curated by ChEMBL


Assay Description
Inhibition of maize Histone deacetylase 2


J Med Chem 47: 1351-9 (2004)


Article DOI: 10.1021/jm031036f
BindingDB Entry DOI: 10.7270/Q2X63MCK
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
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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Università degli Studi di Roma "La Sapienza"

Curated by ChEMBL


Assay Description
Inhibition of maize Histone deacetylase 2


J Med Chem 47: 1351-9 (2004)


Article DOI: 10.1021/jm031036f
BindingDB Entry DOI: 10.7270/Q2X63MCK
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
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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Universit£ degli Studi di Roma"La Sapienza"

Curated by ChEMBL


Assay Description
Inhibitory concentration against maize histone deacetylase 2


J Med Chem 48: 3344-53 (2005)


Article DOI: 10.1021/jm049002a
BindingDB Entry DOI: 10.7270/Q2222VKN
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
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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Universit£ degli Studi di Roma"La Sapienza"

Curated by ChEMBL


Assay Description
Tested for maize Histone deacetylase 2 inhibitory activity


J Med Chem 46: 4826-9 (2003)


Article DOI: 10.1021/jm034167p
BindingDB Entry DOI: 10.7270/Q28C9X0G
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
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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Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Concentration required for inhibition of histone deacetylase HD2 in vitro.


J Med Chem 47: 1098-109 (2004)

Checked by Author
Article DOI: 10.1021/jm030990+
BindingDB Entry DOI: 10.7270/Q24X5773
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM50139949
PNG
(CHEMBL13200 | N-Hydroxy-3-[1-methyl-4-(6-phenyl-he...)
Show SMILES Cn1cc(cc1C=CC(=O)NO)C(=O)CCCCCc1ccccc1 |w:7.8|
Show InChI InChI=1S/C20H24N2O3/c1-22-15-17(14-18(22)12-13-20(24)21-25)19(23)11-7-3-6-10-16-8-4-2-5-9-16/h2,4-5,8-9,12-15,25H,3,6-7,10-11H2,1H3,(H,21,24)
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n/an/a 71n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against histone deacetylase HD2 enzyme.


J Med Chem 47: 1098-109 (2004)

Checked by Author
Article DOI: 10.1021/jm030990+
BindingDB Entry DOI: 10.7270/Q24X5773
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM50139949
PNG
(CHEMBL13200 | N-Hydroxy-3-[1-methyl-4-(6-phenyl-he...)
Show SMILES Cn1cc(cc1C=CC(=O)NO)C(=O)CCCCCc1ccccc1 |w:7.8|
Show InChI InChI=1S/C20H24N2O3/c1-22-15-17(14-18(22)12-13-20(24)21-25)19(23)11-7-3-6-10-16-8-4-2-5-9-16/h2,4-5,8-9,12-15,25H,3,6-7,10-11H2,1H3,(H,21,24)
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n/an/a 71n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Concentration required for inhibition of histone deacetylase HD2 in vitro.


J Med Chem 47: 1098-109 (2004)

Checked by Author
Article DOI: 10.1021/jm030990+
BindingDB Entry DOI: 10.7270/Q24X5773
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM50115649
PNG
(CHEMBL110906 | Octanedioic acid hydroxyamide ((S)-...)
Show SMILES ONC(=O)CCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C23H29N3O4/c27-21(15-9-1-2-10-16-22(28)26-30)25-20(17-18-11-5-3-6-12-18)23(29)24-19-13-7-4-8-14-19/h3-8,11-14,20,30H,1-2,9-10,15-17H2,(H,24,29)(H,25,27)(H,26,28)/t20-/m0/s1
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n/an/a 80n/an/an/an/an/an/a



Westfälische Wilhelms-Universität Münster

Curated by ChEMBL


Assay Description
Inhibition of in vitro enzyme activity measured in a highly purified maize Histone deacetylase 2 preparation


J Med Chem 45: 3296-309 (2002)


BindingDB Entry DOI: 10.7270/Q247497N
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM50135752
PNG
((2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-1H-pyr...)
Show SMILES Cn1cc(cc1C=CC(=O)NO)C(=O)Cc1ccccc1 |w:7.8|
Show InChI InChI=1S/C16H16N2O3/c1-18-11-13(10-14(18)7-8-16(20)17-21)15(19)9-12-5-3-2-4-6-12/h2-8,10-11,21H,9H2,1H3,(H,17,20)
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Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against histone deacetylase HD2 enzyme.


J Med Chem 47: 1098-109 (2004)

Checked by Author
Article DOI: 10.1021/jm030990+
BindingDB Entry DOI: 10.7270/Q24X5773
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM50082665
PNG
(4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)...)
Show SMILES CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C16H25N3O3/c1-19(2)14-10-8-13(9-11-14)16(21)17-12-6-4-3-5-7-15(20)18-22/h8-11,22H,3-7,12H2,1-2H3,(H,17,21)(H,18,20)
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Westfälische Wilhelms-Universität Münster

Curated by ChEMBL


Assay Description
Inhibition of maize Histone deacetylase 2 (HD-2) activity


J Med Chem 42: 4669-79 (1999)


BindingDB Entry DOI: 10.7270/Q2PC31M7
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM50135752
PNG
((2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-1H-pyr...)
Show SMILES Cn1cc(cc1C=CC(=O)NO)C(=O)Cc1ccccc1 |w:7.8|
Show InChI InChI=1S/C16H16N2O3/c1-18-11-13(10-14(18)7-8-16(20)17-21)15(19)9-12-5-3-2-4-6-12/h2-8,10-11,21H,9H2,1H3,(H,17,20)
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Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against histone deacetylase HD2 enzyme.


J Med Chem 47: 1098-109 (2004)

Checked by Author
Article DOI: 10.1021/jm030990+
BindingDB Entry DOI: 10.7270/Q24X5773
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM50082660
PNG
(Biphenyl-4-carboxylic acid (5-hydroxycarbamoyl-pen...)
Show SMILES ONC(=O)CCCCCNC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C19H22N2O3/c22-18(21-24)9-5-2-6-14-20-19(23)17-12-10-16(11-13-17)15-7-3-1-4-8-15/h1,3-4,7-8,10-13,24H,2,5-6,9,14H2,(H,20,23)(H,21,22)
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Westfälische Wilhelms-Universität Münster

Curated by ChEMBL


Assay Description
Inhibition of maize Histone deacetylase 2 (HD-2) activity


J Med Chem 42: 4669-79 (1999)


BindingDB Entry DOI: 10.7270/Q2PC31M7
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM50082666
PNG
(4-(Dimethylamino)-N-[6-(hydroxyamino)-6-oxohexyl]b...)
Show SMILES CN(C)c1ccc(cc1)C(=O)NCCCCCC(=O)NO
Show InChI InChI=1S/C15H23N3O3/c1-18(2)13-9-7-12(8-10-13)15(20)16-11-5-3-4-6-14(19)17-21/h7-10,21H,3-6,11H2,1-2H3,(H,16,20)(H,17,19)
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Westfälische Wilhelms-Universität Münster

Curated by ChEMBL


Assay Description
Inhibition of maize Histone deacetylase 2 (HD-2) activity


J Med Chem 42: 4669-79 (1999)


BindingDB Entry DOI: 10.7270/Q2PC31M7
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM50139935
PNG
(CHEMBL12927 | N-Hydroxy-3-[1-methyl-4-(1-phenyl-cy...)
Show SMILES Cn1cc(cc1\C=C\C(=O)NO)C(=O)C1(CC1)c1ccccc1
Show InChI InChI=1S/C18H18N2O3/c1-20-12-13(11-15(20)7-8-16(21)19-23)17(22)18(9-10-18)14-5-3-2-4-6-14/h2-8,11-12,23H,9-10H2,1H3,(H,19,21)/b8-7+
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n/an/a 100n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Concentration required for inhibition of histone deacetylase HD2 in vitro.


J Med Chem 47: 1098-109 (2004)

Checked by Author
Article DOI: 10.1021/jm030990+
BindingDB Entry DOI: 10.7270/Q24X5773
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM50139935
PNG
(CHEMBL12927 | N-Hydroxy-3-[1-methyl-4-(1-phenyl-cy...)
Show SMILES Cn1cc(cc1\C=C\C(=O)NO)C(=O)C1(CC1)c1ccccc1
Show InChI InChI=1S/C18H18N2O3/c1-20-12-13(11-15(20)7-8-16(21)19-23)17(22)18(9-10-18)14-5-3-2-4-6-14/h2-8,11-12,23H,9-10H2,1H3,(H,19,21)/b8-7+
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n/an/a 101n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Concentration required for inhibition of histone deacetylase HD2 in vitro.


J Med Chem 47: 1098-109 (2004)

Checked by Author
Article DOI: 10.1021/jm030990+
BindingDB Entry DOI: 10.7270/Q24X5773
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM50422363
PNG
(CHEMBL2311176)
Show SMILES C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCCCC(=O)[C@@H]2CO2)NC(=O)[C@@H](C)NC1=O
Show InChI InChI=1S/C22H34N4O6/c1-13-19(28)23-14(2)20(29)25-15(8-5-3-4-6-10-17(27)18-12-32-18)22(31)26-11-7-9-16(26)21(30)24-13/h13-16,18H,3-12H2,1-2H3,(H,23,28)(H,24,30)(H,25,29)/t13-,14+,15-,16+,18-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Universit£ degli Studi di Roma"La Sapienza"

Curated by ChEMBL


Assay Description
Inhibitory concentration against maize histone deacetylase 2


J Med Chem 48: 3344-53 (2005)


Article DOI: 10.1021/jm049002a
BindingDB Entry DOI: 10.7270/Q2222VKN
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM50139937
PNG
(CHEMBL274906 | N-Hydroxy-3-[1-methyl-4-(5-phenyl-p...)
Show SMILES Cn1cc(cc1C=CC(=O)NO)C(=O)CCCCc1ccccc1 |w:7.8|
Show InChI InChI=1S/C19H22N2O3/c1-21-14-16(13-17(21)11-12-19(23)20-24)18(22)10-6-5-9-15-7-3-2-4-8-15/h2-4,7-8,11-14,24H,5-6,9-10H2,1H3,(H,20,23)
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n/an/a 110n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against histone deacetylase HD2 enzyme.


J Med Chem 47: 1098-109 (2004)

Checked by Author
Article DOI: 10.1021/jm030990+
BindingDB Entry DOI: 10.7270/Q24X5773
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM50139942
PNG
((5S,8S,11S)-5,8-Dimethyl-11-(6-oxiranyl-6-oxo-hexy...)
Show SMILES C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CCCCCC(=O)C2CO2)NC(=O)CCCCCNC1=O
Show InChI InChI=1S/C22H36N4O6/c1-14-20(29)23-12-8-4-7-11-19(28)26-16(22(31)25-15(2)21(30)24-14)9-5-3-6-10-17(27)18-13-32-18/h14-16,18H,3-13H2,1-2H3,(H,23,29)(H,24,30)(H,25,31)(H,26,28)/t14-,15-,16-,18?/m0/s1
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Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Concentration required for inhibition of histone deacetylase HD2 in vitro.


J Med Chem 47: 1098-109 (2004)

Checked by Author
Article DOI: 10.1021/jm030990+
BindingDB Entry DOI: 10.7270/Q24X5773
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM50139937
PNG
(CHEMBL274906 | N-Hydroxy-3-[1-methyl-4-(5-phenyl-p...)
Show SMILES Cn1cc(cc1C=CC(=O)NO)C(=O)CCCCc1ccccc1 |w:7.8|
Show InChI InChI=1S/C19H22N2O3/c1-21-14-16(13-17(21)11-12-19(23)20-24)18(22)10-6-5-9-15-7-3-2-4-8-15/h2-4,7-8,11-14,24H,5-6,9-10H2,1H3,(H,20,23)
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n/an/a 110n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Concentration required for inhibition of histone deacetylase HD2 in vitro.


J Med Chem 47: 1098-109 (2004)

Checked by Author
Article DOI: 10.1021/jm030990+
BindingDB Entry DOI: 10.7270/Q24X5773
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM50422363
PNG
(CHEMBL2311176)
Show SMILES C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCCCC(=O)[C@@H]2CO2)NC(=O)[C@@H](C)NC1=O
Show InChI InChI=1S/C22H34N4O6/c1-13-19(28)23-14(2)20(29)25-15(8-5-3-4-6-10-17(27)18-12-32-18)22(31)26-11-7-9-16(26)21(30)24-13/h13-16,18H,3-12H2,1-2H3,(H,23,28)(H,24,30)(H,25,29)/t13-,14+,15-,16+,18-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibitory concentration against histone deacetylase activity


J Med Chem 44: 2069-72 (2001)


BindingDB Entry DOI: 10.7270/Q2959GT3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Mus musculus (Mouse))
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 112n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
In vitro for anti-HDAC1 (Histone deacetylase 1) activity in mouse A20 cells


J Med Chem 45: 1778-84 (2002)


BindingDB Entry DOI: 10.7270/Q2C53K55
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 1


(Mus musculus (Mouse))
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 112n/an/an/an/an/an/a



Università degli Studi di Roma "La Sapienza"

Curated by ChEMBL


Assay Description
Inhibition of mouse HDAC1


J Med Chem 47: 1351-9 (2004)


Article DOI: 10.1021/jm031036f
BindingDB Entry DOI: 10.7270/Q2X63MCK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 2b


(Zea mays)
BDBM50139945
PNG
(CHEMBL273731 | N-Hydroxy-3-[1-methyl-4-(naphthalen...)
Show SMILES Cn1cc(cc1\C=C\C(=O)NO)C(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C19H16N2O3/c1-21-12-16(11-17(21)8-9-18(22)20-24)19(23)15-7-6-13-4-2-3-5-14(13)10-15/h2-12,24H,1H3,(H,20,22)/b9-8+
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n/an/a 115n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Concentration required for inhibition of histone deacetylase HD2 in vitro.


J Med Chem 47: 1098-109 (2004)

Checked by Author
Article DOI: 10.1021/jm030990+
BindingDB Entry DOI: 10.7270/Q24X5773
More data for this
Ligand-Target Pair
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