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Compile Data Set for Download or QSAR

Found 233 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 2b'   
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 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)
KEGG

UniProtKB/TrEMBL

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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)
KEGG

UniProtKB/TrEMBL

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n/an/a 3n/an/an/an/an/an/a



Aton Pharma, Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration against maize Histone deacetylase 2


J Med Chem 46: 5097-116 (2003)


Article DOI: 10.1021/jm0303094
BindingDB Entry DOI: 10.7270/Q2MP5413
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)
KEGG

UniProtKB/TrEMBL

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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)
KEGG

UniProtKB/TrEMBL

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n/an/a 3n/an/an/an/an/an/a



Aton Pharma, Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration against maize Histone deacetylase 2


J Med Chem 46: 5097-116 (2003)


Article DOI: 10.1021/jm0303094
BindingDB Entry DOI: 10.7270/Q2MP5413
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)
KEGG

UniProtKB/TrEMBL

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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)
KEGG

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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
Inhibition of maize HD2


J Med Chem 49: 6046-56 (2006)


Article DOI: 10.1021/jm0605536
BindingDB Entry DOI: 10.7270/Q2Z31Z9B
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM50173884
PNG
((1R,3S,5S,8R)-8-HYDROXY-2-OXABICYCLO[3.3.1]NON-6-E...)
Show SMILES O[C@@H]1C=C[C@@]2(C[C@H]1O[C@@H](C2)C(O)=O)C(O)=O |c:2,TLB:0:1:7.8.9:5|
Show InChI InChI=1S/C10H12O6/c11-5-1-2-10(9(14)15)3-6(5)16-7(4-10)8(12)13/h1-2,5-7,11H,3-4H2,(H,12,13)(H,14,15)/t5-,6-,7+,10+/m1/s1
KEGG

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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
Inhibitory concentration against Histone deacetylase 2 in maize


Bioorg Med Chem Lett 15: 4656-61 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.081
BindingDB Entry DOI: 10.7270/Q29886JV
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)
KEGG

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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)
KEGG

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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)
KEGG

UniProtKB/TrEMBL

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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)
KEGG

UniProtKB/TrEMBL

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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)
KEGG

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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)
KEGG

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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)
BDBM50234055
PNG
(CHEMBL217494 | N-hydroxy-5-(3,4-dihydro-4-oxo-6-ph...)
Show SMILES ONC(=O)CCCCSc1nc(cc(=O)[nH]1)-c1ccccc1
Show InChI InChI=1S/C15H17N3O3S/c19-13(18-21)8-4-5-9-22-15-16-12(10-14(20)17-15)11-6-2-1-3-7-11/h1-3,6-7,10,21H,4-5,8-9H2,(H,18,19)(H,16,17,20)
KEGG

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n/an/a 8n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of maize HD2


J Med Chem 49: 6046-56 (2006)


Article DOI: 10.1021/jm0605536
BindingDB Entry DOI: 10.7270/Q2Z31Z9B
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM50195608
PNG
(CHEMBL217791 | N-hydroxy-6-(3,4-dihydro-4-oxo-6-(1...)
Show SMILES CC(c1ccccc1)c1cc(=O)[nH]c(SCCCCCC(=O)NO)n1
Show InChI InChI=1S/C18H23N3O3S/c1-13(14-8-4-2-5-9-14)15-12-17(23)20-18(19-15)25-11-7-3-6-10-16(22)21-24/h2,4-5,8-9,12-13,24H,3,6-7,10-11H2,1H3,(H,21,22)(H,19,20,23)
KEGG

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n/an/a 9n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of maize HD2


J Med Chem 49: 6046-56 (2006)


Article DOI: 10.1021/jm0605536
BindingDB Entry DOI: 10.7270/Q2Z31Z9B
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
KEGG

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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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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)
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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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
KEGG

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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)
BDBM50234054
PNG
(6-(6-Oxo-4-phenyl-1,6-dihydro-pyrimidin-2-ylsulfan...)
Show SMILES ONC(=O)CCCCCSc1nc(cc(=O)[nH]1)-c1ccccc1
Show InChI InChI=1S/C16H19N3O3S/c20-14(19-22)9-5-2-6-10-23-16-17-13(11-15(21)18-16)12-7-3-1-4-8-12/h1,3-4,7-8,11,22H,2,5-6,9-10H2,(H,19,20)(H,17,18,21)
KEGG

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n/an/a 12n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of maize HD2


J Med Chem 49: 6046-56 (2006)


Article DOI: 10.1021/jm0605536
BindingDB Entry DOI: 10.7270/Q2Z31Z9B
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM50234054
PNG
(6-(6-Oxo-4-phenyl-1,6-dihydro-pyrimidin-2-ylsulfan...)
Show SMILES ONC(=O)CCCCCSc1nc(cc(=O)[nH]1)-c1ccccc1
Show InChI InChI=1S/C16H19N3O3S/c20-14(19-22)9-5-2-6-10-23-16-17-13(11-15(21)18-16)12-7-3-1-4-8-12/h1,3-4,7-8,11,22H,2,5-6,9-10H2,(H,19,20)(H,17,18,21)
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n/an/a 12n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against Histone deacetylase 2 in maize


Bioorg Med Chem Lett 15: 4656-61 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.081
BindingDB Entry DOI: 10.7270/Q29886JV
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM50195605
PNG
(CHEMBL214533 | N-hydroxy-3-(3,4-dihydro-6-phenyl-4...)
Show SMILES ONC(=O)C=Cc1cccc(CSc2nc(cc(=O)[nH]2)-c2ccccc2)c1 |w:5.5|
Show InChI InChI=1S/C20H17N3O3S/c24-18(23-26)10-9-14-5-4-6-15(11-14)13-27-20-21-17(12-19(25)22-20)16-7-2-1-3-8-16/h1-12,26H,13H2,(H,23,24)(H,21,22,25)
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n/an/a 17n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of maize HD2


J Med Chem 49: 6046-56 (2006)


Article DOI: 10.1021/jm0605536
BindingDB Entry DOI: 10.7270/Q2Z31Z9B
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM50002746
PNG
(CHEMBL217545)
Show SMILES ONC(=O)CCCCSc1nc(cc(=O)[nH]1)-c1cccc(Cl)c1
Show InChI InChI=1S/C15H16ClN3O3S/c16-11-5-3-4-10(8-11)12-9-14(21)18-15(17-12)23-7-2-1-6-13(20)19-22/h3-5,8-9,22H,1-2,6-7H2,(H,19,20)(H,17,18,21)
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n/an/a 17n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of maize HD2 (mean)


Bioorg Med Chem Lett 17: 1221-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.028
BindingDB Entry DOI: 10.7270/Q29W0H0K
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM50002747
PNG
(CHEMBL217546)
Show SMILES ONC(=O)CCCCSc1nc(cc(=O)[nH]1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H16ClN3O3S/c16-11-6-4-10(5-7-11)12-9-14(21)18-15(17-12)23-8-2-1-3-13(20)19-22/h4-7,9,22H,1-3,8H2,(H,19,20)(H,17,18,21)
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n/an/a 17n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of maize HD2 (mean)


Bioorg Med Chem Lett 17: 1221-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.028
BindingDB Entry DOI: 10.7270/Q29W0H0K
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM50234114
PNG
(6-(4-Benzyl-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfan...)
Show SMILES ONC(=O)CCCCCSc1nc(Cc2ccccc2)cc(=O)[nH]1
Show InChI InChI=1S/C17H21N3O3S/c21-15(20-23)9-5-2-6-10-24-17-18-14(12-16(22)19-17)11-13-7-3-1-4-8-13/h1,3-4,7-8,12,23H,2,5-6,9-11H2,(H,20,21)(H,18,19,22)
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n/an/a 18n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of maize HD2


J Med Chem 49: 6046-56 (2006)


Article DOI: 10.1021/jm0605536
BindingDB Entry DOI: 10.7270/Q2Z31Z9B
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM50234114
PNG
(6-(4-Benzyl-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfan...)
Show SMILES ONC(=O)CCCCCSc1nc(Cc2ccccc2)cc(=O)[nH]1
Show InChI InChI=1S/C17H21N3O3S/c21-15(20-23)9-5-2-6-10-24-17-18-14(12-16(22)19-17)11-13-7-3-1-4-8-13/h1,3-4,7-8,12,23H,2,5-6,9-11H2,(H,20,21)(H,18,19,22)
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n/an/a 18n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against Histone deacetylase 2 in maize


Bioorg Med Chem Lett 15: 4656-61 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.081
BindingDB Entry DOI: 10.7270/Q29886JV
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM50195609
PNG
(CHEMBL216147 | N-hydroxy-4-(3,4-dihydro-6-phenyl-4...)
Show SMILES ONC(=O)C=Cc1ccc(CSc2nc(cc(=O)[nH]2)-c2ccccc2)cc1 |w:5.5|
Show InChI InChI=1S/C20H17N3O3S/c24-18(23-26)11-10-14-6-8-15(9-7-14)13-27-20-21-17(12-19(25)22-20)16-4-2-1-3-5-16/h1-12,26H,13H2,(H,23,24)(H,21,22,25)
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n/an/a 23n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of maize HD2


J Med Chem 49: 6046-56 (2006)


Article DOI: 10.1021/jm0605536
BindingDB Entry DOI: 10.7270/Q2Z31Z9B
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)
BDBM50195612
PNG
(CHEMBL384013 | N-hydroxy-4-(3,4-dihydro-4-oxo-6-ph...)
Show SMILES ONC(=O)CCCSc1nc(cc(=O)[nH]1)-c1ccccc1
Show InChI InChI=1S/C14H15N3O3S/c18-12(17-20)7-4-8-21-14-15-11(9-13(19)16-14)10-5-2-1-3-6-10/h1-3,5-6,9,20H,4,7-8H2,(H,17,18)(H,15,16,19)
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n/an/a 27n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of maize HD2


J Med Chem 49: 6046-56 (2006)


Article DOI: 10.1021/jm0605536
BindingDB Entry DOI: 10.7270/Q2Z31Z9B
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM50195614
PNG
(CHEMBL216064 | N-hydroxy-6-[(3,4-dihydro-4-oxo-6-(...)
Show SMILES CCC(c1ccccc1)c1cc(=O)[nH]c(SCCCCCC(=O)NO)n1
Show InChI InChI=1S/C19H25N3O3S/c1-2-15(14-9-5-3-6-10-14)16-13-18(24)21-19(20-16)26-12-8-4-7-11-17(23)22-25/h3,5-6,9-10,13,15,25H,2,4,7-8,11-12H2,1H3,(H,22,23)(H,20,21,24)
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n/an/a 32n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of maize HD2


J Med Chem 49: 6046-56 (2006)


Article DOI: 10.1021/jm0605536
BindingDB Entry DOI: 10.7270/Q2Z31Z9B
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)
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



Aton Pharma, Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration against maize Histone deacetylase 2


J Med Chem 46: 5097-116 (2003)


Article DOI: 10.1021/jm0303094
BindingDB Entry DOI: 10.7270/Q2MP5413
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM50173893
PNG
(6-[4-(2-Ethyl-phenyl)-6-oxo-1,6-dihydro-pyrimidin-...)
Show SMILES CCc1ccccc1-c1cc(=O)[nH]c(SCCCCCC(=O)NO)n1
Show InChI InChI=1S/C18H23N3O3S/c1-2-13-8-5-6-9-14(13)15-12-17(23)20-18(19-15)25-11-7-3-4-10-16(22)21-24/h5-6,8-9,12,24H,2-4,7,10-11H2,1H3,(H,21,22)(H,19,20,23)
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n/an/a 35n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against Histone deacetylase 2 in maize


Bioorg Med Chem Lett 15: 4656-61 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.081
BindingDB Entry DOI: 10.7270/Q29886JV
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM50173886
PNG
(7-(4-Benzyl-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfan...)
Show SMILES ONC(=O)CCCCCCSc1nc(Cc2ccccc2)cc(=O)[nH]1
Show InChI InChI=1S/C18H23N3O3S/c22-16(21-24)10-6-1-2-7-11-25-18-19-15(13-17(23)20-18)12-14-8-4-3-5-9-14/h3-5,8-9,13,24H,1-2,6-7,10-12H2,(H,21,22)(H,19,20,23)
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n/an/a 37n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against Histone deacetylase 2 in maize


Bioorg Med Chem Lett 15: 4656-61 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.081
BindingDB Entry DOI: 10.7270/Q29886JV
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM50195599
PNG
(CHEMBL214877 | N-hydroxy-3-(3,4-dihydro-4-oxo-6-ph...)
Show SMILES ONC(=O)CCSc1nc(CCc2ccccc2)cc(=O)[nH]1
Show InChI InChI=1S/C15H17N3O3S/c19-13(18-21)8-9-22-15-16-12(10-14(20)17-15)7-6-11-4-2-1-3-5-11/h1-5,10,21H,6-9H2,(H,18,19)(H,16,17,20)
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n/an/a 37n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of maize HD2


J Med Chem 49: 6046-56 (2006)


Article DOI: 10.1021/jm0605536
BindingDB Entry DOI: 10.7270/Q2Z31Z9B
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM50195616
PNG
(CHEMBL387449 | N-hydroxy-7-(3,4-dihydro-4-oxo-6-ph...)
Show SMILES ONC(=O)CCCCCCSc1nc(cc(=O)[nH]1)-c1ccccc1
Show InChI InChI=1S/C17H21N3O3S/c21-15(20-23)10-6-1-2-7-11-24-17-18-14(12-16(22)19-17)13-8-4-3-5-9-13/h3-5,8-9,12,23H,1-2,6-7,10-11H2,(H,20,21)(H,18,19,22)
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n/an/a 38n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of maize HD2


J Med Chem 49: 6046-56 (2006)


Article DOI: 10.1021/jm0605536
BindingDB Entry DOI: 10.7270/Q2Z31Z9B
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM50173885
PNG
(3-(4-Benzyl-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfan...)
Show SMILES ONC(=O)CCSc1nc(Cc2ccccc2)cc(=O)[nH]1
Show InChI InChI=1S/C14H15N3O3S/c18-12(17-20)6-7-21-14-15-11(9-13(19)16-14)8-10-4-2-1-3-5-10/h1-5,9,20H,6-8H2,(H,17,18)(H,15,16,19)
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n/an/a 38n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against Histone deacetylase 2 in maize


Bioorg Med Chem Lett 15: 4656-61 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.081
BindingDB Entry DOI: 10.7270/Q29886JV
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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n/an/a 40n/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)
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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n/an/a 40n/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)
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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n/an/a 40n/an/an/an/an/an/a



Aton Pharma, Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration against maize Histone deacetylase 2


J Med Chem 46: 5097-116 (2003)


Article DOI: 10.1021/jm0303094
BindingDB Entry DOI: 10.7270/Q2MP5413
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM50195598
PNG
(CHEMBL216875 | N-hydroxy-5-(3,4-dihydro-4-oxo-6-ph...)
Show SMILES ONC(=O)CCCCSc1nc(CCc2ccccc2)cc(=O)[nH]1
Show InChI InChI=1S/C17H21N3O3S/c21-15(20-23)8-4-5-11-24-17-18-14(12-16(22)19-17)10-9-13-6-2-1-3-7-13/h1-3,6-7,12,23H,4-5,8-11H2,(H,20,21)(H,18,19,22)
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n/an/a 40n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of maize HD2


J Med Chem 49: 6046-56 (2006)


Article DOI: 10.1021/jm0605536
BindingDB Entry DOI: 10.7270/Q2Z31Z9B
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM50195615
PNG
(CHEMBL218348 | N-hydroxy-3-(3,4-dihydro-6-benzyl-4...)
Show SMILES ONC(=O)C=Cc1cccc(CSc2nc(Cc3ccccc3)cc(=O)[nH]2)c1 |w:5.5|
Show InChI InChI=1S/C21H19N3O3S/c25-19(24-27)10-9-16-7-4-8-17(11-16)14-28-21-22-18(13-20(26)23-21)12-15-5-2-1-3-6-15/h1-11,13,27H,12,14H2,(H,24,25)(H,22,23,26)
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n/an/a 41n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of maize HD2


J Med Chem 49: 6046-56 (2006)


Article DOI: 10.1021/jm0605536
BindingDB Entry DOI: 10.7270/Q2Z31Z9B
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM50195602
PNG
(CHEMBL216834 | N-hydroxy-8-(3,4-dihydro-4-oxo-6-ph...)
Show SMILES ONC(=O)CCCCCCCSc1nc(cc(=O)[nH]1)-c1ccccc1
Show InChI InChI=1S/C18H23N3O3S/c22-16(21-24)11-7-2-1-3-8-12-25-18-19-15(13-17(23)20-18)14-9-5-4-6-10-14/h4-6,9-10,13,24H,1-3,7-8,11-12H2,(H,21,22)(H,19,20,23)
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n/an/a 42n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of maize HD2


J Med Chem 49: 6046-56 (2006)


Article DOI: 10.1021/jm0605536
BindingDB Entry DOI: 10.7270/Q2Z31Z9B
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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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)
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 49.2n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of maize HD2 (mean)


Bioorg Med Chem Lett 17: 1221-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.028
BindingDB Entry DOI: 10.7270/Q29W0H0K
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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n/an/a 50n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against Histone deacetylase 2 in maize


Bioorg Med Chem Lett 15: 4656-61 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.081
BindingDB Entry DOI: 10.7270/Q29886JV
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)
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
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