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Compile Data Set for Download or QSAR

Found 99 hits with Last Name = 'scatena' and Initial = 'r'   
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 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 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 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
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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)
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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
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)
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)
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)
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)
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)
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)
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 50n/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 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)
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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n/an/a 50n/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)
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
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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n/an/a 50n/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)
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
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)
BDBM50173895
PNG
(8-(4-Benzyl-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfan...)
Show SMILES ONC(=O)CCCCCCCSc1nc(Cc2ccccc2)cc(=O)[nH]1
Show InChI InChI=1S/C19H25N3O3S/c23-17(22-25)11-7-2-1-3-8-12-26-19-20-16(14-18(24)21-19)13-15-9-5-4-6-10-15/h4-6,9-10,14,25H,1-3,7-8,11-13H2,(H,22,23)(H,20,21,24)
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n/an/a 61n/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)
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)
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)
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)
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)
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)
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)
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)
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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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)
BDBM50173888
PNG
(6-(4-Methyl-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfan...)
Show SMILES Cc1cc(=O)[nH]c(SCCCCCC(=O)NO)n1
Show InChI InChI=1S/C11H17N3O3S/c1-8-7-10(16)13-11(12-8)18-6-4-2-3-5-9(15)14-17/h7,17H,2-6H2,1H3,(H,14,15)(H,12,13,16)
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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 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 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 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 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
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
Histone deacetylase 2b


(Zea mays)
BDBM50173894
PNG
(5-(4-Benzyl-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfan...)
Show SMILES ONC(=O)CCCCSc1nc(Cc2ccccc2)cc(=O)[nH]1
Show InChI InChI=1S/C16H19N3O3S/c20-14(19-22)8-4-5-9-23-16-17-13(11-15(21)18-16)10-12-6-2-1-3-7-12/h1-3,6-7,11,22H,4-5,8-10H2,(H,19,20)(H,17,18,21)
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n/an/a 125n/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)
BDBM50139947
PNG
(CHEMBL265077 | N-Hydroxy-3-[1-methyl-4-(4-phenyl-b...)
Show SMILES Cn1cc(cc1C=CC(=O)NO)C(=O)CCCc1ccccc1 |w:7.8|
Show InChI InChI=1S/C18H20N2O3/c1-20-13-15(12-16(20)10-11-18(22)19-23)17(21)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,10-13,23H,5,8-9H2,1H3,(H,19,22)
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n/an/a 129n/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)
BDBM50139947
PNG
(CHEMBL265077 | N-Hydroxy-3-[1-methyl-4-(4-phenyl-b...)
Show SMILES Cn1cc(cc1C=CC(=O)NO)C(=O)CCCc1ccccc1 |w:7.8|
Show InChI InChI=1S/C18H20N2O3/c1-20-13-15(12-16(20)10-11-18(22)19-23)17(21)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,10-13,23H,5,8-9H2,1H3,(H,19,22)
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n/an/a 130n/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)
BDBM50173896
PNG
(6-(6-Oxo-4-propyl-1,6-dihydro-pyrimidin-2-ylsulfan...)
Show SMILES CCCc1cc(=O)[nH]c(SCCCCCC(=O)NO)n1
Show InChI InChI=1S/C13H21N3O3S/c1-2-6-10-9-12(18)15-13(14-10)20-8-5-3-4-7-11(17)16-19/h9,19H,2-8H2,1H3,(H,16,17)(H,14,15,18)
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n/an/a 135n/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)
BDBM50139944
PNG
(CHEMBL12890 | N-Hydroxy-3-[1-methyl-4-(naphthalene...)
Show SMILES Cn1cc(cc1\C=C\C(=O)NO)C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C19H16N2O3/c1-21-12-14(11-15(21)9-10-18(22)20-24)19(23)17-8-4-6-13-5-2-3-7-16(13)17/h2-12,24H,1H3,(H,20,22)/b10-9+
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n/an/a 144n/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)
BDBM50139944
PNG
(CHEMBL12890 | N-Hydroxy-3-[1-methyl-4-(naphthalene...)
Show SMILES Cn1cc(cc1\C=C\C(=O)NO)C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C19H16N2O3/c1-21-12-14(11-15(21)9-10-18(22)20-24)19(23)17-8-4-6-13-5-2-3-7-16(13)17/h2-12,24H,1H3,(H,20,22)/b10-9+
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n/an/a 145n/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)
BDBM50139930
PNG
(CHEMBL269230 | N,N'-Dihydroxy-2-(1-methyl-4-phenyl...)
Show SMILES [#6]-n1cc(cc1\[#6]=[#6](\[#6](=O)-[#7]-[#8])-[#6](=O)-[#7]-[#8])-[#6](=O)-[#6]-c1ccccc1
Show InChI InChI=1S/C17H17N3O5/c1-20-10-12(15(21)7-11-5-3-2-4-6-11)8-13(20)9-14(16(22)18-24)17(23)19-25/h2-6,8-10,24-25H,7H2,1H3,(H,18,22)(H,19,23)
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n/an/a 200n/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)
BDBM50139930
PNG
(CHEMBL269230 | N,N'-Dihydroxy-2-(1-methyl-4-phenyl...)
Show SMILES [#6]-n1cc(cc1\[#6]=[#6](\[#6](=O)-[#7]-[#8])-[#6](=O)-[#7]-[#8])-[#6](=O)-[#6]-c1ccccc1
Show InChI InChI=1S/C17H17N3O5/c1-20-10-12(15(21)7-11-5-3-2-4-6-11)8-13(20)9-14(16(22)18-24)17(23)19-25/h2-6,8-10,24-25H,7H2,1H3,(H,18,22)(H,19,23)
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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)
BDBM50139951
PNG
(CHEMBL273454 | N-Hydroxy-3-[1-methyl-4-(8-phenyl-o...)
Show SMILES Cn1cc(cc1C=CC(=O)NO)C(=O)CCCCCCCc1ccccc1 |w:7.8|
Show InChI InChI=1S/C22H28N2O3/c1-24-17-19(16-20(24)14-15-22(26)23-27)21(25)13-9-4-2-3-6-10-18-11-7-5-8-12-18/h5,7-8,11-12,14-17,27H,2-4,6,9-10,13H2,1H3,(H,23,26)
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n/an/a 209n/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)
BDBM50139951
PNG
(CHEMBL273454 | N-Hydroxy-3-[1-methyl-4-(8-phenyl-o...)
Show SMILES Cn1cc(cc1C=CC(=O)NO)C(=O)CCCCCCCc1ccccc1 |w:7.8|
Show InChI InChI=1S/C22H28N2O3/c1-24-17-19(16-20(24)14-15-22(26)23-27)21(25)13-9-4-2-3-6-10-18-11-7-5-8-12-18/h5,7-8,11-12,14-17,27H,2-4,6,9-10,13H2,1H3,(H,23,26)
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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)
BDBM50173891
PNG
(6-(6-Oxo-1,6-dihydro-pyrimidin-2-ylsulfanyl)-hexan...)
Show SMILES ONC(=O)CCCCCSc1nccc(=O)[nH]1
Show InChI InChI=1S/C10H15N3O3S/c14-8-5-6-11-10(12-8)17-7-3-1-2-4-9(15)13-16/h5-6,16H,1-4,7H2,(H,13,15)(H,11,12,14)
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n/an/a 213n/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 1


(Mus musculus (Mouse))
BDBM50140883
PNG
((E)-3-(5-Benzoyl-1-methyl-1H-pyrrol-2-yl)-N-hydrox...)
Show SMILES Cn1c(\C=C\C(=O)NO)ccc1C(=O)c1ccccc1
Show InChI InChI=1S/C15H14N2O3/c1-17-12(8-10-14(18)16-20)7-9-13(17)15(19)11-5-3-2-4-6-11/h2-10,20H,1H3,(H,16,18)/b10-8+
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n/an/a 229n/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 2b


(Zea mays)
BDBM50173897
PNG
(4-(4-Benzyl-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfan...)
Show SMILES ONC(=O)CCCSc1nc(Cc2ccccc2)cc(=O)[nH]1
Show InChI InChI=1S/C15H17N3O3S/c19-13(18-21)7-4-8-22-15-16-12(10-14(20)17-15)9-11-5-2-1-3-6-11/h1-3,5-6,10,21H,4,7-9H2,(H,18,19)(H,16,17,20)
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n/an/a 229n/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
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