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Compile Data Set for Download or QSAR

Found 25 hits with Last Name = 'jesacher' and Initial = 'f'   
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)
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)
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)
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)
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 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 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)
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 251n/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)
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 280n/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 1


(Mus musculus (Mouse))
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 776n/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)
BDBM50100456
PNG
(CHEMBL51356 | N-Hydroxy-3-[(E)-1-methyl-4-(4-methy...)
Show SMILES Cc1ccc(cc1)C(=O)c1cc(\C=C\C(=O)NO)n(C)c1
Show InChI InChI=1S/C16H16N2O3/c1-11-3-5-12(6-4-11)16(20)13-9-14(18(2)10-13)7-8-15(19)17-21/h3-10,21H,1-2H3,(H,17,19)/b8-7+
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n/an/a 1.90E+3n/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)
BDBM50100455
PNG
(3-[(E)-4-(4-Dimethylamino-benzoyl)-1-methyl-1H-pyr...)
Show SMILES CN(C)c1ccc(cc1)C(=O)c1cc(\C=C\C(=O)NO)n(C)c1
Show InChI InChI=1S/C17H19N3O3/c1-19(2)14-6-4-12(5-7-14)17(22)13-10-15(20(3)11-13)8-9-16(21)18-23/h4-11,23H,1-3H3,(H,18,21)/b9-8+
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n/an/a 2.40E+3n/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)
BDBM50140881
PNG
((E)-3-(4-Benzoyl-1-methyl-1H-pyrrol-3-yl)-N-hydrox...)
Show SMILES Cn1cc(\C=C\C(=O)NO)c(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C15H14N2O3/c1-17-9-12(7-8-14(18)16-20)13(10-17)15(19)11-5-3-2-4-6-11/h2-10,20H,1H3,(H,16,18)/b8-7+
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n/an/a 3.80E+3n/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)
BDBM50100452
PNG
(3-((E)-4-Benzoyl-1-methyl-1H-pyrrol-2-yl)-N-hydrox...)
Show SMILES Cn1cc(cc1\C=C\C(=O)NO)C(=O)c1ccccc1
Show InChI InChI=1S/C15H14N2O3/c1-17-10-12(9-13(17)7-8-14(18)16-20)15(19)11-5-3-2-4-6-11/h2-10,20H,1H3,(H,16,18)/b8-7+
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n/an/a 3.80E+3n/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)
BDBM50140881
PNG
((E)-3-(4-Benzoyl-1-methyl-1H-pyrrol-3-yl)-N-hydrox...)
Show SMILES Cn1cc(\C=C\C(=O)NO)c(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C15H14N2O3/c1-17-9-12(7-8-14(18)16-20)13(10-17)15(19)11-5-3-2-4-6-11/h2-10,20H,1H3,(H,16,18)/b8-7+
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n/an/a 3.80E+3n/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 1


(Mus musculus (Mouse))
BDBM50100455
PNG
(3-[(E)-4-(4-Dimethylamino-benzoyl)-1-methyl-1H-pyr...)
Show SMILES CN(C)c1ccc(cc1)C(=O)c1cc(\C=C\C(=O)NO)n(C)c1
Show InChI InChI=1S/C17H19N3O3/c1-19(2)14-6-4-12(5-7-14)17(22)13-10-15(20(3)11-13)8-9-16(21)18-23/h4-11,23H,1-3H3,(H,18,21)/b9-8+
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n/an/a 4.20E+3n/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))
BDBM50100456
PNG
(CHEMBL51356 | N-Hydroxy-3-[(E)-1-methyl-4-(4-methy...)
Show SMILES Cc1ccc(cc1)C(=O)c1cc(\C=C\C(=O)NO)n(C)c1
Show InChI InChI=1S/C16H16N2O3/c1-11-3-5-12(6-4-11)16(20)13-9-14(18(2)10-13)7-8-15(19)17-21/h3-10,21H,1-2H3,(H,17,19)/b8-7+
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n/an/a 4.50E+3n/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))
BDBM50140881
PNG
((E)-3-(4-Benzoyl-1-methyl-1H-pyrrol-3-yl)-N-hydrox...)
Show SMILES Cn1cc(\C=C\C(=O)NO)c(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C15H14N2O3/c1-17-9-12(7-8-14(18)16-20)13(10-17)15(19)11-5-3-2-4-6-11/h2-10,20H,1H3,(H,16,18)/b8-7+
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n/an/a 4.90E+3n/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))
BDBM50100452
PNG
(3-((E)-4-Benzoyl-1-methyl-1H-pyrrol-2-yl)-N-hydrox...)
Show SMILES Cn1cc(cc1\C=C\C(=O)NO)C(=O)c1ccccc1
Show InChI InChI=1S/C15H14N2O3/c1-17-10-12(9-13(17)7-8-14(18)16-20)15(19)11-5-3-2-4-6-11/h2-10,20H,1H3,(H,16,18)/b8-7+
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n/an/a 4.90E+3n/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