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PubMed code 18247554

Compile data set for download or QSAR
Found 134 hits of Enzyme Inhibition Constant Data   
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


(Homo sapiens (Human))
BDBM50372452
PNG
(CHEMBL409847)
Show SMILES ONC(=O)CCCCCC(=O)N(CC(=O)Nc1ccc2[nH]ncc2c1)CC(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C25H28N8O5/c34-22(32-38)4-2-1-3-5-25(37)33(14-23(35)28-18-6-8-20-16(10-18)12-26-30-20)15-24(36)29-19-7-9-21-17(11-19)13-27-31-21/h6-13,38H,1-5,14-15H2,(H,26,30)(H,27,31)(H,28,35)(H,29,36)(H,32,34)
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n/an/a 1n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50372470
PNG
(CHEMBL403323)
Show SMILES OCCN(CCc1cc2ccccc2[nH]1)Cc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C22H25N3O3/c26-14-13-25(12-11-20-15-19-3-1-2-4-21(19)23-20)16-18-7-5-17(6-8-18)9-10-22(27)24-28/h1-10,15,23,26,28H,11-14,16H2,(H,24,27)/b10-9+
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
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 1.80n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of mouse liver HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50372470
PNG
(CHEMBL403323)
Show SMILES OCCN(CCc1cc2ccccc2[nH]1)Cc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C22H25N3O3/c26-14-13-25(12-11-20-15-19-3-1-2-4-21(19)23-20)16-18-7-5-17(6-8-18)9-10-22(27)24-28/h1-10,15,23,26,28H,11-14,16H2,(H,24,27)/b10-9+
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n/an/a 3.70n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC3


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50372451
PNG
(CHEMBL270739)
Show SMILES ONC(=O)CCCCCC(=O)N(CC(=O)Nc1nc2ccccc2s1)CC(=O)Nc1nc2ccccc2s1
Show InChI InChI=1S/C25H26N6O5S2/c32-20(30-36)12-2-1-3-13-23(35)31(14-21(33)28-24-26-16-8-4-6-10-18(16)37-24)15-22(34)29-25-27-17-9-5-7-11-19(17)38-25/h4-11,36H,1-3,12-15H2,(H,30,32)(H,26,28,33)(H,27,29,34)
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n/an/a 9.5n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50216027
PNG
(CHEMBL247183 | N-hydroxy-6-(2-phenylacetamido)benz...)
Show SMILES ONC(=O)c1cc2ccc(NC(=O)Cc3ccccc3)cc2s1
Show InChI InChI=1S/C17H14N2O3S/c20-16(8-11-4-2-1-3-5-11)18-13-7-6-12-9-15(17(21)19-22)23-14(12)10-13/h1-7,9-10,22H,8H2,(H,18,20)(H,19,21)
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50372446
PNG
(CHEMBL272401)
Show SMILES CN1CCCCC1N[C@@H](CCCCCC(C)=O)C(=O)Nc1nc(cs1)-c1ccccc1 |w:6.7|
Show InChI InChI=1S/C24H34N4O2S/c1-18(29)11-5-3-8-14-20(25-22-15-9-10-16-28(22)2)23(30)27-24-26-21(17-31-24)19-12-6-4-7-13-19/h4,6-7,12-13,17,20,22,25H,3,5,8-11,14-16H2,1-2H3,(H,26,27,30)/t20-,22?/m0/s1
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC6


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50372453
PNG
(CHEMBL410636)
Show SMILES ONC(=O)CN(CCCCCCC(=O)Nc1ccccc1)CC(=O)Nc1ccccc1
Show InChI InChI=1S/C23H30N4O4/c28-21(24-19-11-5-3-6-12-19)15-9-1-2-10-16-27(18-23(30)26-31)17-22(29)25-20-13-7-4-8-14-20/h3-8,11-14,31H,1-2,9-10,15-18H2,(H,24,28)(H,25,29)(H,26,30)
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50372446
PNG
(CHEMBL272401)
Show SMILES CN1CCCCC1N[C@@H](CCCCCC(C)=O)C(=O)Nc1nc(cs1)-c1ccccc1 |w:6.7|
Show InChI InChI=1S/C24H34N4O2S/c1-18(29)11-5-3-8-14-20(25-22-15-9-10-16-28(22)2)23(30)27-24-26-21(17-31-24)19-12-6-4-7-13-19/h4,6-7,12-13,17,20,22,25H,3,5,8-11,14-16H2,1-2H3,(H,26,27,30)/t20-,22?/m0/s1
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC3


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50372470
PNG
(CHEMBL403323)
Show SMILES OCCN(CCc1cc2ccccc2[nH]1)Cc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C22H25N3O3/c26-14-13-25(12-11-20-15-19-3-1-2-4-21(19)23-20)16-18-7-5-17(6-8-18)9-10-22(27)24-28/h1-10,15,23,26,28H,11-14,16H2,(H,24,27)/b10-9+
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n/an/a 15n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC6


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50372456
PNG
(CHEMBL271799)
Show SMILES COc1ccc2[nH]c(C)c(CN[C@@H](CCCCCC(C)=O)C(=O)Nc3cccc(c3)-c3ccccc3)c2c1
Show InChI InChI=1S/C32H37N3O3/c1-22(36)11-6-4-9-16-31(33-21-29-23(2)34-30-18-17-27(38-3)20-28(29)30)32(37)35-26-15-10-14-25(19-26)24-12-7-5-8-13-24/h5,7-8,10,12-15,17-20,31,33-34H,4,6,9,11,16,21H2,1-3H3,(H,35,37)/t31-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
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 21n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50372464
PNG
(CHEMBL271798)
Show SMILES COc1ccc2[nH]c(C)c(CN[C@@H](CCCCCC(C)=O)C(=O)Nc3nc(cs3)-c3ccccc3)c2c1
Show InChI InChI=1S/C29H34N4O3S/c1-19(34)10-6-4-9-13-26(28(35)33-29-32-27(18-37-29)21-11-7-5-8-12-21)30-17-24-20(2)31-25-15-14-22(36-3)16-23(24)25/h5,7-8,11-12,14-16,18,26,30-31H,4,6,9-10,13,17H2,1-3H3,(H,32,33,35)/t26-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50372450
PNG
(CHEMBL270740)
Show SMILES ONC(=O)CCCCCC(=O)N(CC(=O)Nc1ccccc1)CC(=O)Nc1cccc2cccnc12
Show InChI InChI=1S/C26H29N5O5/c32-22(30-36)14-5-2-6-15-25(35)31(17-23(33)28-20-11-3-1-4-12-20)18-24(34)29-21-13-7-9-19-10-8-16-27-26(19)21/h1,3-4,7-13,16,36H,2,5-6,14-15,17-18H2,(H,28,33)(H,29,34)(H,30,32)
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
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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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC6


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50372428
PNG
(CHEMBL272615)
Show SMILES ONC(=O)c1cc2ccc(NS(=O)(=O)c3cccc4ccccc34)cc2s1
Show InChI InChI=1S/C19H14N2O4S2/c22-19(20-23)17-10-13-8-9-14(11-16(13)26-17)21-27(24,25)18-7-3-5-12-4-1-2-6-15(12)18/h1-11,21,23H,(H,20,22)
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50372449
PNG
(CHEMBL406650)
Show SMILES ONC(=O)CCCCCC(=O)N(CC(=O)Nc1cccc2cccnc12)CC(=O)Nc1cccc2cccnc12
Show InChI InChI=1S/C29H30N6O5/c36-24(34-40)14-2-1-3-15-27(39)35(18-25(37)32-22-12-4-8-20-10-6-16-30-28(20)22)19-26(38)33-23-13-5-9-21-11-7-17-31-29(21)23/h4-13,16-17,40H,1-3,14-15,18-19H2,(H,32,37)(H,33,38)(H,34,36)
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50216032
PNG
(CHEMBL247184 | N-hydroxy-5-(2-phenylacetamido)benz...)
Show SMILES ONC(=O)c1cc2cc(NC(=O)Cc3ccccc3)ccc2s1
Show InChI InChI=1S/C17H14N2O3S/c20-16(8-11-4-2-1-3-5-11)18-13-6-7-14-12(9-13)10-15(23-14)17(21)19-22/h1-7,9-10,22H,8H2,(H,18,20)(H,19,21)
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50372427
PNG
(CHEMBL279797)
Show SMILES COc1ccc(CNC(=O)c2ccc3sc(cc3c2)C(=O)NO)cc1
Show InChI InChI=1S/C18H16N2O4S/c1-24-14-5-2-11(3-6-14)10-19-17(21)12-4-7-15-13(8-12)9-16(25-15)18(22)20-23/h2-9,23H,10H2,1H3,(H,19,21)(H,20,22)
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50372448
PNG
(CHEMBL270893)
Show SMILES ONC(=O)CCCCCCC(=O)N1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H26ClN3O3/c19-15-7-9-16(10-8-15)21-11-13-22(14-12-21)18(24)6-4-2-1-3-5-17(23)20-25/h7-10,25H,1-6,11-14H2,(H,20,23)
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
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 37n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC3


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50372462
PNG
(CHEMBL270249)
Show SMILES ONC(=O)Cc1ccc(s1)-c1csc(NC(=O)COc2ccccc2)n1
Show InChI InChI=1S/C17H15N3O4S2/c21-15(20-23)8-12-6-7-14(26-12)13-10-25-17(18-13)19-16(22)9-24-11-4-2-1-3-5-11/h1-7,10,23H,8-9H2,(H,20,21)(H,18,19,22)
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC8


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Mus musculus (Mouse))
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 39n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of mouse liver HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM19423
PNG
(HDAC inhibitor, Compound 1 | N-[2-amino-5-(thiophe...)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1
Show InChI InChI=1S/C19H17N3O2S/c1-12(23)21-15-7-4-13(5-8-15)19(24)22-17-11-14(6-9-16(17)20)18-3-2-10-25-18/h2-11H,20H2,1H3,(H,21,23)(H,22,24)
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n/an/a 40n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 1


(Mus musculus (Mouse))
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)
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of mouse liver HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50372461
PNG
(CHEMBL270887)
Show SMILES ONC(=O)Cc1ccc(s1)-c1csc(NC(=O)Cc2ccccc2)n1
Show InChI InChI=1S/C17H15N3O3S2/c21-15(8-11-4-2-1-3-5-11)19-17-18-13(10-24-17)14-7-6-12(25-14)9-16(22)20-23/h1-7,10,23H,8-9H2,(H,20,22)(H,18,19,21)
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC8


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50372429
PNG
(CHEMBL272614)
Show SMILES ONC(=O)c1cc2ccc(NS(=O)(=O)Cc3ccccc3)cc2s1
Show InChI InChI=1S/C16H14N2O4S2/c19-16(17-20)15-8-12-6-7-13(9-14(12)23-15)18-24(21,22)10-11-4-2-1-3-5-11/h1-9,18,20H,10H2,(H,17,19)
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n/an/a 41n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50372457
PNG
(CHEMBL260959 | US8648092, 45)
Show SMILES CC(C)(C)NCc1c(nc2cc(\C=C\C(=O)NO)ccn12)-c1ccccc1
Show InChI InChI=1S/C21H24N4O2/c1-21(2,3)22-14-17-20(16-7-5-4-6-8-16)23-18-13-15(11-12-25(17)18)9-10-19(26)24-27/h4-13,22,27H,14H2,1-3H3,(H,24,26)/b10-9+
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50372430
PNG
(CHEMBL261610)
Show SMILES ONC(=O)c1cc2ccc(NS(=O)(=O)c3ccccc3)cc2s1
Show InChI InChI=1S/C15H12N2O4S2/c18-15(16-19)14-8-10-6-7-11(9-13(10)22-14)17-23(20,21)12-4-2-1-3-5-12/h1-9,17,19H,(H,16,18)
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n/an/a 46.5n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50372469
PNG
(AZUMAMIDE E)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](C)[C@@H](CC=CCCC(O)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O |w:11.10|
Show InChI InChI=1S/C27H38N4O6/c1-16(2)23-27(37)28-18(4)25(35)30-21(15-19-11-7-5-8-12-19)26(36)29-20(17(3)24(34)31-23)13-9-6-10-14-22(32)33/h5-9,11-12,16-18,20-21,23H,10,13-15H2,1-4H3,(H,28,37)(H,29,36)(H,30,35)(H,31,34)(H,32,33)/t17-,18+,20+,21+,23+/m0/s1
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50372432
PNG
(CHEMBL429429)
Show SMILES ONC(=O)c1cc2ccc(cc2s1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C17H14N2O3S/c20-16(18-10-11-4-2-1-3-5-11)13-7-6-12-8-15(17(21)19-22)23-14(12)9-13/h1-9,22H,10H2,(H,18,20)(H,19,21)
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n/an/a 53n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50372446
PNG
(CHEMBL272401)
Show SMILES CN1CCCCC1N[C@@H](CCCCCC(C)=O)C(=O)Nc1nc(cs1)-c1ccccc1 |w:6.7|
Show InChI InChI=1S/C24H34N4O2S/c1-18(29)11-5-3-8-14-20(25-22-15-9-10-16-28(22)2)23(30)27-24-26-21(17-31-24)19-12-6-4-7-13-19/h4,6-7,12-13,17,20,22,25H,3,5,8-11,14-16H2,1-2H3,(H,26,27,30)/t20-,22?/m0/s1
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n/an/a 55n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50372446
PNG
(CHEMBL272401)
Show SMILES CN1CCCCC1N[C@@H](CCCCCC(C)=O)C(=O)Nc1nc(cs1)-c1ccccc1 |w:6.7|
Show InChI InChI=1S/C24H34N4O2S/c1-18(29)11-5-3-8-14-20(25-22-15-9-10-16-28(22)2)23(30)27-24-26-21(17-31-24)19-12-6-4-7-13-19/h4,6-7,12-13,17,20,22,25H,3,5,8-11,14-16H2,1-2H3,(H,26,27,30)/t20-,22?/m0/s1
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50372455
PNG
(CHEMBL272403)
Show SMILES CC(=O)CCCCC[C@H](Nc1cncs1)C(=O)Nc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C24H27N3O2S/c1-18(28)9-4-2-7-14-22(27-23-16-25-17-30-23)24(29)26-21-13-8-12-20(15-21)19-10-5-3-6-11-19/h3,5-6,8,10-13,15-17,22,27H,2,4,7,9,14H2,1H3,(H,26,29)/t22-/m0/s1
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50372433
PNG
(CHEMBL405504)
Show SMILES ONC(=O)c1cc2cc(ccc2s1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C17H14N2O3S/c20-16(18-10-11-4-2-1-3-5-11)12-6-7-14-13(8-12)9-15(23-14)17(21)19-22/h1-9,22H,10H2,(H,18,20)(H,19,21)
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50372463
PNG
(CHEMBL272402)
Show SMILES CN1CCCCC1N[C@@H](CCCCCC(C)=O)C(=O)Nc1cccc(c1)-c1ccccc1 |w:6.7|
Show InChI InChI=1S/C27H37N3O2/c1-21(31)12-5-3-8-17-25(29-26-18-9-10-19-30(26)2)27(32)28-24-16-11-15-23(20-24)22-13-6-4-7-14-22/h4,6-7,11,13-16,20,25-26,29H,3,5,8-10,12,17-19H2,1-2H3,(H,28,32)/t25-,26?/m0/s1
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50372435
PNG
(CHEMBL270098)
Show SMILES ONC(=O)c1cc2ccc(NC(=O)c3ccc4ccccc4c3)cc2s1
Show InChI InChI=1S/C20H14N2O3S/c23-19(15-6-5-12-3-1-2-4-13(12)9-15)21-16-8-7-14-10-18(20(24)22-25)26-17(14)11-16/h1-11,25H,(H,21,23)(H,22,24)
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50372469
PNG
(AZUMAMIDE E)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](C)[C@@H](CC=CCCC(O)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O |w:11.10|
Show InChI InChI=1S/C27H38N4O6/c1-16(2)23-27(37)28-18(4)25(35)30-21(15-19-11-7-5-8-12-19)26(36)29-20(17(3)24(34)31-23)13-9-6-10-14-22(32)33/h5-9,11-12,16-18,20-21,23H,10,13-15H2,1-4H3,(H,28,37)(H,29,36)(H,30,35)(H,31,34)(H,32,33)/t17-,18+,20+,21+,23+/m0/s1
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC3


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50372461
PNG
(CHEMBL270887)
Show SMILES ONC(=O)Cc1ccc(s1)-c1csc(NC(=O)Cc2ccccc2)n1
Show InChI InChI=1S/C17H15N3O3S2/c21-15(8-11-4-2-1-3-5-11)19-17-18-13(10-24-17)14-7-6-12(25-14)9-16(22)20-23/h1-7,10,23H,8-9H2,(H,20,22)(H,18,19,21)
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50372469
PNG
(AZUMAMIDE E)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](C)[C@@H](CC=CCCC(O)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O |w:11.10|
Show InChI InChI=1S/C27H38N4O6/c1-16(2)23-27(37)28-18(4)25(35)30-21(15-19-11-7-5-8-12-19)26(36)29-20(17(3)24(34)31-23)13-9-6-10-14-22(32)33/h5-9,11-12,16-18,20-21,23H,10,13-15H2,1-4H3,(H,28,37)(H,29,36)(H,30,35)(H,31,34)(H,32,33)/t17-,18+,20+,21+,23+/m0/s1
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC2


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM19423
PNG
(HDAC inhibitor, Compound 1 | N-[2-amino-5-(thiophe...)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1
Show InChI InChI=1S/C19H17N3O2S/c1-12(23)21-15-7-4-13(5-8-15)19(24)22-17-11-14(6-9-16(17)20)18-3-2-10-25-18/h2-11H,20H2,1H3,(H,21,23)(H,22,24)
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n/an/a 100n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC2


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 1


(Mus musculus (Mouse))
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 103n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of mouse liver HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50372436
PNG
(CHEMBL259027)
Show SMILES ONC(=O)c1cc2cc(NC(=O)c3ccccc3)ccc2s1
Show InChI InChI=1S/C16H12N2O3S/c19-15(10-4-2-1-3-5-10)17-12-6-7-13-11(8-12)9-14(22-13)16(20)18-21/h1-9,21H,(H,17,19)(H,18,20)
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n/an/a 107n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
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



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of mouse liver HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Mus musculus (Mouse))
BDBM50372454
PNG
(CHEMBL272024)
Show SMILES CC(C)(c1ccccc1)c1cc(=O)[nH]c(SCCCCCC(=O)NO)n1
Show InChI InChI=1S/C19H25N3O3S/c1-19(2,14-9-5-3-6-10-14)15-13-17(24)21-18(20-15)26-12-8-4-7-11-16(23)22-25/h3,5-6,9-10,13,25H,4,7-8,11-12H2,1-2H3,(H,22,23)(H,20,21,24)
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of mouse liver HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50372431
PNG
(CHEMBL261829)
Show SMILES ONC(=O)c1cc2cc(NC(=O)c3cccc4ccccc34)ccc2s1
Show InChI InChI=1S/C20H14N2O3S/c23-19(16-7-3-5-12-4-1-2-6-15(12)16)21-14-8-9-17-13(10-14)11-18(26-17)20(24)22-25/h1-11,25H,(H,21,23)(H,22,24)
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n/an/a 140n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50372470
PNG
(CHEMBL403323)
Show SMILES OCCN(CCc1cc2ccccc2[nH]1)Cc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C22H25N3O3/c26-14-13-25(12-11-20-15-19-3-1-2-4-21(19)23-20)16-18-7-5-17(6-8-18)9-10-22(27)24-28/h1-10,15,23,26,28H,11-14,16H2,(H,24,27)/b10-9+
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC8


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50372447
PNG
(CHEMBL270476)
Show SMILES ONC(=O)CCCCCCN(CCCc1ccccc1)CCc1ccccc1
Show InChI InChI=1S/C24H34N2O2/c27-24(25-28)17-9-1-2-10-19-26(21-18-23-14-7-4-8-15-23)20-11-16-22-12-5-3-6-13-22/h3-8,12-15,28H,1-2,9-11,16-21H2,(H,25,27)
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n/an/a 159n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50372446
PNG
(CHEMBL272401)
Show SMILES CN1CCCCC1N[C@@H](CCCCCC(C)=O)C(=O)Nc1nc(cs1)-c1ccccc1 |w:6.7|
Show InChI InChI=1S/C24H34N4O2S/c1-18(29)11-5-3-8-14-20(25-22-15-9-10-16-28(22)2)23(30)27-24-26-21(17-31-24)19-12-6-4-7-13-19/h4,6-7,12-13,17,20,22,25H,3,5,8-11,14-16H2,1-2H3,(H,26,27,30)/t20-,22?/m0/s1
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n/an/a 170n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC2


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM19410
PNG
(CHEMBL27759 | MS-275 | US9265734, MS-275 | US97966...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1
Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50372438
PNG
(CHEMBL272613)
Show SMILES CC(=O)SCC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C17H23NO3S/c1-14(19)22-13-16(20)11-7-2-3-8-12-17(21)18-15-9-5-4-6-10-15/h4-6,9-10H,2-3,7-8,11-13H2,1H3,(H,18,21)
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n/an/a 190n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50372465
PNG
(CHEMBL269890)
Show SMILES CC(=O)CCCCC[C@H](NC(=O)CCN1CCCCC1)C(=O)NCCc1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C33H44N4O3/c1-25(38)13-5-2-8-18-30(35-31(39)20-24-37-22-11-4-12-23-37)33(40)34-21-19-28-27-16-9-10-17-29(27)36-32(28)26-14-6-3-7-15-26/h3,6-7,9-10,14-17,30,36H,2,4-5,8,11-13,18-24H2,1H3,(H,34,40)(H,35,39)/t30-/m0/s1
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50195117
PNG
(CHEMBL387224 | N-((S)-1,8-dioxo-1-(2-(2-phenyl-1H-...)
Show SMILES CN1CCCC(C1)C(=O)N[C@@H](CCCCCC(C)=O)C(=O)NCCc1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C32H42N4O3/c1-23(37)12-5-3-8-18-29(35-31(38)25-15-11-21-36(2)22-25)32(39)33-20-19-27-26-16-9-10-17-28(26)34-30(27)24-13-6-4-7-14-24/h4,6-7,9-10,13-14,16-17,25,29,34H,3,5,8,11-12,15,18-22H2,1-2H3,(H,33,39)(H,35,38)/t25?,29-/m0/s1
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
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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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50216017
PNG
(6-benzamido-N-hydroxybenzo[b]thiophene-2-carboxami...)
Show SMILES ONC(=O)c1cc2ccc(NC(=O)c3ccccc3)cc2s1
Show InChI InChI=1S/C16H12N2O3S/c19-15(10-4-2-1-3-5-10)17-12-7-6-11-8-14(16(20)18-21)22-13(11)9-12/h1-9,21H,(H,17,19)(H,18,20)
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n/an/a 204n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50195132
PNG
(CHEMBL387015 | N-((S)-1,8-dioxo-1-(2-(2-phenyl-1H-...)
Show SMILES CN1CCC(C1)C(=O)N[C@@H](CCCCCC(C)=O)C(=O)NCCc1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C31H40N4O3/c1-22(36)11-5-3-8-16-28(34-30(37)24-18-20-35(2)21-24)31(38)32-19-17-26-25-14-9-10-15-27(25)33-29(26)23-12-6-4-7-13-23/h4,6-7,9-10,12-15,24,28,33H,3,5,8,11,16-21H2,1-2H3,(H,32,38)(H,34,37)/t24?,28-/m0/s1
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50372456
PNG
(CHEMBL271799)
Show SMILES COc1ccc2[nH]c(C)c(CN[C@@H](CCCCCC(C)=O)C(=O)Nc3cccc(c3)-c3ccccc3)c2c1
Show InChI InChI=1S/C32H37N3O3/c1-22(36)11-6-4-9-16-31(33-21-29-23(2)34-30-18-17-27(38-3)20-28(29)30)32(37)35-26-15-10-14-25(19-26)24-12-7-5-8-13-24/h5,7-8,10,12-15,17-20,31,33-34H,4,6,9,11,16,21H2,1-3H3,(H,35,37)/t31-/m0/s1
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 from human HeLa cells


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50232655
PNG
(4-((1H-benzo[d]imidazol-2-ylthio)methyl)-N-(2-amin...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1
Show InChI InChI=1S/C21H18N4OS/c22-16-5-1-2-6-17(16)23-20(26)15-11-9-14(10-12-15)13-27-21-24-18-7-3-4-8-19(18)25-21/h1-12H,13,22H2,(H,23,26)(H,24,25)
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50372446
PNG
(CHEMBL272401)
Show SMILES CN1CCCCC1N[C@@H](CCCCCC(C)=O)C(=O)Nc1nc(cs1)-c1ccccc1 |w:6.7|
Show InChI InChI=1S/C24H34N4O2S/c1-18(29)11-5-3-8-14-20(25-22-15-9-10-16-28(22)2)23(30)27-24-26-21(17-31-24)19-12-6-4-7-13-19/h4,6-7,12-13,17,20,22,25H,3,5,8-11,14-16H2,1-2H3,(H,26,27,30)/t20-,22?/m0/s1
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 from human HeLa cells


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50372466
PNG
(CHEMBL272840)
Show SMILES CC(=O)CCCCC[C@H](NC(=O)c1cnns1)C(=O)NCCc1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C28H31N5O3S/c1-19(34)10-4-2-7-15-24(32-28(36)25-18-30-33-37-25)27(35)29-17-16-22-21-13-8-9-14-23(21)31-26(22)20-11-5-3-6-12-20/h3,5-6,8-9,11-14,18,24,31H,2,4,7,10,15-17H2,1H3,(H,29,35)(H,32,36)/t24-/m0/s1
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50372468
PNG
(CHEMBL406800 | SB-379278A)
Show SMILES S=c1[nH]cc([nH]1)-c1ccncc1
Show InChI InChI=1S/C8H7N3S/c12-8-10-5-7(11-8)6-1-3-9-4-2-6/h1-5H,(H2,10,11,12)
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC8


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50372463
PNG
(CHEMBL272402)
Show SMILES CN1CCCCC1N[C@@H](CCCCCC(C)=O)C(=O)Nc1cccc(c1)-c1ccccc1 |w:6.7|
Show InChI InChI=1S/C27H37N3O2/c1-21(31)12-5-3-8-17-25(29-26-18-9-10-19-30(26)2)27(32)28-24-16-11-15-23(20-24)22-13-6-4-7-14-22/h4,6-7,11,13-16,20,25-26,29H,3,5,8-10,12,17-19H2,1-2H3,(H,28,32)/t25-,26?/m0/s1
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n/an/a 500n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 from human HeLa cells


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50198218
PNG
(5-(1-(2-(benzo[d][1,3]dioxol-5-ylmethylamino)ethyl...)
Show SMILES ONC(=O)c1ccc(s1)-c1ccn(CCNCc2ccc3OCOc3c2)n1
Show InChI InChI=1S/C18H18N4O4S/c23-18(21-24)17-4-3-16(27-17)13-5-7-22(20-13)8-6-19-10-12-1-2-14-15(9-12)26-11-25-14/h1-5,7,9,19,24H,6,8,10-11H2,(H,21,23)
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n/an/a 510n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50195125
PNG
(CHEMBL218129 | N-((S)-1,8-dioxo-1-(2-(2-phenyl-1H-...)
Show SMILES CN1CCCCC1C(=O)N[C@@H](CCCCCC(C)=O)C(=O)NCCc1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C32H42N4O3/c1-23(37)13-5-3-8-18-28(35-32(39)29-19-11-12-22-36(29)2)31(38)33-21-20-26-25-16-9-10-17-27(25)34-30(26)24-14-6-4-7-15-24/h4,6-7,9-10,14-17,28-29,34H,3,5,8,11-13,18-22H2,1-2H3,(H,33,38)(H,35,39)/t28-,29?/m0/s1
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n/an/a 540n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50372434
PNG
(CHEMBL271767)
Show SMILES ONC(=O)c1cc2cc(ccc2s1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C16H12N2O3S/c19-15(17-12-4-2-1-3-5-12)10-6-7-13-11(8-10)9-14(22-13)16(20)18-21/h1-9,21H,(H,17,19)(H,18,20)
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50195134
PNG
((S)-N-(1,8-dioxo-1-(2-(2-phenyl-1H-indol-3-yl)ethy...)
Show SMILES CC(=O)CCCCC[C@H](NC(=O)c1cncs1)C(=O)NCCc1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C29H32N4O3S/c1-20(34)10-4-2-7-15-25(33-29(36)26-18-30-19-37-26)28(35)31-17-16-23-22-13-8-9-14-24(22)32-27(23)21-11-5-3-6-12-21/h3,5-6,8-9,11-14,18-19,25,32H,2,4,7,10,15-17H2,1H3,(H,31,35)(H,33,36)/t25-/m0/s1
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n/an/a 590n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50195121
PNG
((S)-2-(2-(5-methoxy-2-methyl-1H-indol-3-yl)acetami...)
Show SMILES COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(C)=O)C(=O)NCCc3c([nH]c4ccccc34)-c3ccccc3)c2c1
Show InChI InChI=1S/C37H42N4O4/c1-24(42)12-6-4-9-17-34(40-35(43)23-30-25(2)39-33-19-18-27(45-3)22-31(30)33)37(44)38-21-20-29-28-15-10-11-16-32(28)41-36(29)26-13-7-5-8-14-26/h5,7-8,10-11,13-16,18-19,22,34,39,41H,4,6,9,12,17,20-21,23H2,1-3H3,(H,38,44)(H,40,43)/t34-/m0/s1
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50372445
PNG
(CHEMBL272841)
Show SMILES COc1ccc(cn1)-c1ccnc(NCc2ccc(cc2)C(=O)Nc2ccccc2N)n1
Show InChI InChI=1S/C24H22N6O2/c1-32-22-11-10-18(15-27-22)20-12-13-26-24(30-20)28-14-16-6-8-17(9-7-16)23(31)29-21-5-3-2-4-19(21)25/h2-13,15H,14,25H2,1H3,(H,29,31)(H,26,28,30)
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n/an/a 600n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM24624
PNG
(CHEMBL272980 | MGCD-0103 | MGCD0103 | N-(2-aminoph...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cccnc2)cc1
Show InChI InChI=1S/C23H20N6O/c24-19-5-1-2-6-21(19)28-22(30)17-9-7-16(8-10-17)14-27-23-26-13-11-20(29-23)18-4-3-12-25-15-18/h1-13,15H,14,24H2,(H,28,30)(H,26,27,29)
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n/an/a 620n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC3


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50216024
PNG
(CHEMBL245946 | N-hydroxybenzo[b]thiophene-2-carbox...)
Show SMILES ONC(=O)c1cc2ccccc2s1
Show InChI InChI=1S/C9H7NO2S/c11-9(10-12)8-5-6-3-1-2-4-7(6)13-8/h1-5,12H,(H,10,11)
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n/an/a 672n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50372439
PNG
(CHEMBL402451)
Show SMILES SCC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C15H21NO2S/c17-14(12-19)10-6-1-2-7-11-15(18)16-13-8-4-3-5-9-13/h3-5,8-9,19H,1-2,6-7,10-12H2,(H,16,18)
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n/an/a 690n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50372462
PNG
(CHEMBL270249)
Show SMILES ONC(=O)Cc1ccc(s1)-c1csc(NC(=O)COc2ccccc2)n1
Show InChI InChI=1S/C17H15N3O4S2/c21-15(20-23)8-12-6-7-14(26-12)13-10-25-17(18-13)19-16(22)9-24-11-4-2-1-3-5-11/h1-7,10,23H,8-9H2,(H,20,21)(H,18,19,22)
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50372455
PNG
(CHEMBL272403)
Show SMILES CC(=O)CCCCC[C@H](Nc1cncs1)C(=O)Nc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C24H27N3O2S/c1-18(28)9-4-2-7-14-22(27-23-16-25-17-30-23)24(29)26-21-13-8-12-20(15-21)19-10-5-3-6-11-19/h3,5-6,8,10-13,15-17,22,27H,2,4,7,9,14H2,1H3,(H,26,29)/t22-/m0/s1
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 from human HeLa cells


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50195121
PNG
((S)-2-(2-(5-methoxy-2-methyl-1H-indol-3-yl)acetami...)
Show SMILES COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(C)=O)C(=O)NCCc3c([nH]c4ccccc34)-c3ccccc3)c2c1
Show InChI InChI=1S/C37H42N4O4/c1-24(42)12-6-4-9-17-34(40-35(43)23-30-25(2)39-33-19-18-27(45-3)22-31(30)33)37(44)38-21-20-29-28-15-10-11-16-32(28)41-36(29)26-13-7-5-8-14-26/h5,7-8,10-11,13-16,18-19,22,34,39,41H,4,6,9,12,17,20-21,23H2,1-3H3,(H,38,44)(H,40,43)/t34-/m0/s1
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n/an/a 730n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 from human HeLa cells


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM19410
PNG
(CHEMBL27759 | MS-275 | US9265734, MS-275 | US97966...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1
Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)
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n/an/a 740n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC3


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM24624
PNG
(CHEMBL272980 | MGCD-0103 | MGCD0103 | N-(2-aminoph...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cccnc2)cc1
Show InChI InChI=1S/C23H20N6O/c24-19-5-1-2-6-21(19)28-22(30)17-9-7-16(8-10-17)14-27-23-26-13-11-20(29-23)18-4-3-12-25-15-18/h1-13,15H,14,24H2,(H,28,30)(H,26,27,29)
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n/an/a 820n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
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 820n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50195110
PNG
((S)-2-acetamido-8-oxo-N-(2-(2-phenyl-1H-indol-3-yl...)
Show SMILES CC(=O)CCCCC[C@H](NC(C)=O)C(=O)NCCc1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C27H33N3O3/c1-19(31)11-5-3-8-16-25(29-20(2)32)27(33)28-18-17-23-22-14-9-10-15-24(22)30-26(23)21-12-6-4-7-13-21/h4,6-7,9-10,12-15,25,30H,3,5,8,11,16-18H2,1-2H3,(H,28,33)(H,29,32)/t25-/m0/s1
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n/an/a 930n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM19410
PNG
(CHEMBL27759 | MS-275 | US9265734, MS-275 | US97966...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1
Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50372441
PNG
(CHEMBL260958)
Show SMILES Nc1ccccc1NC(=O)CCCCCCNC(=O)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C26H29N3O2/c27-23-15-7-8-16-24(23)29-25(30)17-6-1-2-9-18-28-26(31)22-14-10-13-21(19-22)20-11-4-3-5-12-20/h3-5,7-8,10-16,19H,1-2,6,9,17-18,27H2,(H,28,31)(H,29,30)
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50372443
PNG
(CHEMBL270097)
Show SMILES Nc1ccccc1NC(=O)c1ccc(\C=C\C(=O)NCCc2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C26H24N4O2/c27-22-6-2-4-8-24(22)30-26(32)19-12-9-18(10-13-19)11-14-25(31)28-16-15-20-17-29-23-7-3-1-5-21(20)23/h1-14,17,29H,15-16,27H2,(H,28,31)(H,30,32)/b14-11+
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50372431
PNG
(CHEMBL261829)
Show SMILES ONC(=O)c1cc2cc(NC(=O)c3cccc4ccccc34)ccc2s1
Show InChI InChI=1S/C20H14N2O3S/c23-19(16-7-3-5-12-4-1-2-6-15(12)16)21-14-8-9-17-13(10-14)11-18(26-17)20(24)22-25/h1-11,25H,(H,21,23)(H,22,24)
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n/an/a 1.07E+3n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
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 1.20E+3n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC8


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50372467
PNG
(CHEMBL271102 | SB-429201)
Show SMILES O=C(CCc1ccccc1)Nc1ccc(cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C28H24N2O3/c31-27(20-11-21-7-3-1-4-8-21)29-23-14-12-22(13-15-23)28(32)30-24-16-18-26(19-17-24)33-25-9-5-2-6-10-25/h1-10,12-19H,11,20H2,(H,29,31)(H,30,32)
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50372446
PNG
(CHEMBL272401)
Show SMILES CN1CCCCC1N[C@@H](CCCCCC(C)=O)C(=O)Nc1nc(cs1)-c1ccccc1 |w:6.7|
Show InChI InChI=1S/C24H34N4O2S/c1-18(29)11-5-3-8-14-20(25-22-15-9-10-16-28(22)2)23(30)27-24-26-21(17-31-24)19-12-6-4-7-13-19/h4,6-7,12-13,17,20,22,25H,3,5,8-11,14-16H2,1-2H3,(H,26,27,30)/t20-,22?/m0/s1
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC5


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50372442
PNG
(CHEMBL260740)
Show SMILES Nc1ccccc1NC(=O)CCCCCCNC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H29N3O2/c27-23-12-7-8-13-24(23)29-25(30)14-6-1-2-9-19-28-26(31)22-17-15-21(16-18-22)20-10-4-3-5-11-20/h3-5,7-8,10-13,15-18H,1-2,6,9,14,19,27H2,(H,28,31)(H,29,30)
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50226111
PNG
(CHEMBL241337 | N-(2-aminophenyl)-4-((2,4-dioxo-1,2...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1
Show InChI InChI=1S/C22H18N4O3/c23-17-6-2-4-8-19(17)24-20(27)15-11-9-14(10-12-15)13-26-21(28)16-5-1-3-7-18(16)25-22(26)29/h1-12H,13,23H2,(H,24,27)(H,25,29)
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Curated by ChEMBL


Assay Description
Inhibition of HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50195117
PNG
(CHEMBL387224 | N-((S)-1,8-dioxo-1-(2-(2-phenyl-1H-...)
Show SMILES CN1CCCC(C1)C(=O)N[C@@H](CCCCCC(C)=O)C(=O)NCCc1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C32H42N4O3/c1-23(37)12-5-3-8-18-29(35-31(38)25-15-11-21-36(2)22-25)32(39)33-20-19-27-26-16-9-10-17-28(26)34-30(27)24-13-6-4-7-14-24/h4,6-7,9-10,13-14,16-17,25,29,34H,3,5,8,11-12,15,18-22H2,1-2H3,(H,33,39)(H,35,38)/t25?,29-/m0/s1
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 from human HeLa cells


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM19413
PNG
(CHEMBL211625 | N-(2-aminophenyl)-4-{[(3,4-dimethox...)
Show SMILES COc1ccc(NCc2ccc(cc2)C(=O)Nc2ccccc2N)cc1OC
Show InChI InChI=1S/C22H23N3O3/c1-27-20-12-11-17(13-21(20)28-2)24-14-15-7-9-16(10-8-15)22(26)25-19-6-4-3-5-18(19)23/h3-13,24H,14,23H2,1-2H3,(H,25,26)
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Curated by ChEMBL


Assay Description
Inhibition of HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50234080
PNG
(CHEMBL258813 | N-(2-aminophenyl)-4-(3-(4-(pyridin-...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(\C=C\CNc2nccc(n2)-c2cccnc2)cc1
Show InChI InChI=1S/C25H22N6O/c26-21-7-1-2-8-23(21)30-24(32)19-11-9-18(10-12-19)5-3-15-28-25-29-16-13-22(31-25)20-6-4-14-27-17-20/h1-14,16-17H,15,26H2,(H,30,32)(H,28,29,31)/b5-3+
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50195132
PNG
(CHEMBL387015 | N-((S)-1,8-dioxo-1-(2-(2-phenyl-1H-...)
Show SMILES CN1CCC(C1)C(=O)N[C@@H](CCCCCC(C)=O)C(=O)NCCc1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C31H40N4O3/c1-22(36)11-5-3-8-16-28(34-30(37)24-18-20-35(2)21-24)31(38)32-19-17-26-25-14-9-10-15-27(25)33-29(26)23-12-6-4-7-13-23/h4,6-7,9-10,12-15,24,28,33H,3,5,8,11,16-21H2,1-2H3,(H,32,38)(H,34,37)/t24?,28-/m0/s1
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 from human HeLa cells


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50187086
PNG
((E)-N-(2-aminophenyl)-3-(4-((3,4,5-trimethoxypheny...)
Show SMILES COc1cc(NCc2ccc(\C=C\C(=O)Nc3ccccc3N)cc2)cc(OC)c1OC
Show InChI InChI=1S/C25H27N3O4/c1-30-22-14-19(15-23(31-2)25(22)32-3)27-16-18-10-8-17(9-11-18)12-13-24(29)28-21-7-5-4-6-20(21)26/h4-15,27H,16,26H2,1-3H3,(H,28,29)/b13-12+
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50187097
PNG
(3-(6-(4-methoxybenzylamino)pyridin-3-yl)-N-(2-amin...)
Show SMILES COc1ccc(CNc2ccc(\C=C\C(=O)Nc3ccccc3N)cn2)cc1
Show InChI InChI=1S/C22H22N4O2/c1-28-18-10-6-16(7-11-18)14-24-21-12-8-17(15-25-21)9-13-22(27)26-20-5-3-2-4-19(20)23/h2-13,15H,14,23H2,1H3,(H,24,25)(H,26,27)/b13-9+
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50195125
PNG
(CHEMBL218129 | N-((S)-1,8-dioxo-1-(2-(2-phenyl-1H-...)
Show SMILES CN1CCCCC1C(=O)N[C@@H](CCCCCC(C)=O)C(=O)NCCc1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C32H42N4O3/c1-23(37)13-5-3-8-18-28(35-32(39)29-19-11-12-22-36(29)2)31(38)33-21-20-26-25-16-9-10-17-27(25)34-30(26)24-14-6-4-7-15-24/h4,6-7,9-10,14-17,28-29,34H,3,5,8,11-13,18-22H2,1-2H3,(H,33,38)(H,35,39)/t28-,29?/m0/s1
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 from human HeLa cells


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50372440
PNG
(CHEMBL260957)
Show SMILES Nc1ccccc1NC(=O)CCCCCCNC(=O)c1ccc(nc1)-c1ccccc1
Show InChI InChI=1S/C25H28N4O2/c26-21-12-7-8-13-23(21)29-24(30)14-6-1-2-9-17-27-25(31)20-15-16-22(28-18-20)19-10-4-3-5-11-19/h3-5,7-8,10-13,15-16,18H,1-2,6,9,14,17,26H2,(H,27,31)(H,29,30)
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50372446
PNG
(CHEMBL272401)
Show SMILES CN1CCCCC1N[C@@H](CCCCCC(C)=O)C(=O)Nc1nc(cs1)-c1ccccc1 |w:6.7|
Show InChI InChI=1S/C24H34N4O2S/c1-18(29)11-5-3-8-14-20(25-22-15-9-10-16-28(22)2)23(30)27-24-26-21(17-31-24)19-12-6-4-7-13-19/h4,6-7,12-13,17,20,22,25H,3,5,8-11,14-16H2,1-2H3,(H,26,27,30)/t20-,22?/m0/s1
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC8


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50187096
PNG
(CHEMBL214271 | N-(2-aminophenyl)-3-(6-((3,4,5-trim...)
Show SMILES COc1cc(NCc2ccc(\C=C\C(=O)Nc3ccccc3N)cn2)cc(OC)c1OC
Show InChI InChI=1S/C24H26N4O4/c1-30-21-12-18(13-22(31-2)24(21)32-3)27-15-17-10-8-16(14-26-17)9-11-23(29)28-20-7-5-4-6-19(20)25/h4-14,27H,15,25H2,1-3H3,(H,28,29)/b11-9+
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50372444
PNG
(CHEMBL407849)
Show SMILES Nc1ccccc1NC(=O)c1ccc(\C=C\C(=O)NCc2cccnc2)cc1
Show InChI InChI=1S/C22H20N4O2/c23-19-5-1-2-6-20(19)26-22(28)18-10-7-16(8-11-18)9-12-21(27)25-15-17-4-3-13-24-14-17/h1-14H,15,23H2,(H,25,27)(H,26,28)/b12-9+
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Curated by ChEMBL


Assay Description
Inhibition of HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50195134
PNG
((S)-N-(1,8-dioxo-1-(2-(2-phenyl-1H-indol-3-yl)ethy...)
Show SMILES CC(=O)CCCCC[C@H](NC(=O)c1cncs1)C(=O)NCCc1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C29H32N4O3S/c1-20(34)10-4-2-7-15-25(33-29(36)26-18-30-19-37-26)28(35)31-17-16-23-22-13-8-9-14-24(22)32-27(23)21-11-5-3-6-12-21/h3,5-6,8-9,11-14,18-19,25,32H,2,4,7,10,15-17H2,1H3,(H,31,35)(H,33,36)/t25-/m0/s1
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Curated by ChEMBL


Assay Description
Inhibition of HDAC1 from human HeLa cells


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50187094
PNG
(CHEMBL375409 | N-(2-aminophenyl)-3-(6-(benzylamino...)
Show SMILES Nc1ccccc1NC(=O)\C=C\c1ccc(NCc2ccccc2)nc1
Show InChI InChI=1S/C21H20N4O/c22-18-8-4-5-9-19(18)25-21(26)13-11-17-10-12-20(24-15-17)23-14-16-6-2-1-3-7-16/h1-13,15H,14,22H2,(H,23,24)(H,25,26)/b13-11+
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Curated by ChEMBL


Assay Description
Inhibition of HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50187083
PNG
(6-(4-methoxyphenethylamino)-N-(2-aminophenyl)nicot...)
Show SMILES COc1ccc(CCNc2ccc(cn2)C(=O)Nc2ccccc2N)cc1
Show InChI InChI=1S/C21H22N4O2/c1-27-17-9-6-15(7-10-17)12-13-23-20-11-8-16(14-24-20)21(26)25-19-5-3-2-4-18(19)22/h2-11,14H,12-13,22H2,1H3,(H,23,24)(H,25,26)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50372466
PNG
(CHEMBL272840)
Show SMILES CC(=O)CCCCC[C@H](NC(=O)c1cnns1)C(=O)NCCc1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C28H31N5O3S/c1-19(34)10-4-2-7-15-24(32-28(36)25-18-30-33-37-25)27(35)29-17-16-22-21-13-8-9-14-23(21)31-26(22)20-11-5-3-6-12-20/h3,5-6,8-9,11-14,18,24,31H,2,4,7,10,15-17H2,1H3,(H,29,35)(H,32,36)/t24-/m0/s1
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n/an/a 3.40E+3n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 from human HeLa cells


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50372469
PNG
(AZUMAMIDE E)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](C)[C@@H](CC=CCCC(O)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O |w:11.10|
Show InChI InChI=1S/C27H38N4O6/c1-16(2)23-27(37)28-18(4)25(35)30-21(15-19-11-7-5-8-12-19)26(36)29-20(17(3)24(34)31-23)13-9-6-10-14-22(32)33/h5-9,11-12,16-18,20-21,23H,10,13-15H2,1-4H3,(H,28,37)(H,29,36)(H,30,35)(H,31,34)(H,32,33)/t17-,18+,20+,21+,23+/m0/s1
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC8


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50157884
PNG
(6-(2-Mercapto-acetylamino)-hexanoic acid phenylami...)
Show SMILES SCC(=O)NCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O2S/c17-13(16-12-7-3-1-4-8-12)9-5-2-6-10-15-14(18)11-19/h1,3-4,7-8,19H,2,5-6,9-11H2,(H,15,18)(H,16,17)
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n/an/a 3.89E+3n/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Inhibition of human HDAC8


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50187084
PNG
(3-(6-(3,4,5-trimethoxybenzylamino)pyridin-3-yl)-N-...)
Show SMILES COc1cc(CNc2ccc(\C=C\C(=O)Nc3ccccc3N)cn2)cc(OC)c1OC
Show InChI InChI=1S/C24H26N4O4/c1-30-20-12-17(13-21(31-2)24(20)32-3)15-27-22-10-8-16(14-26-22)9-11-23(29)28-19-7-5-4-6-18(19)25/h4-14H,15,25H2,1-3H3,(H,26,27)(H,28,29)/b11-9+
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Curated by ChEMBL


Assay Description
Inhibition of HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50187077
PNG
((E)-N-(2-aminophenyl)-3-(4-((4-methoxyphenylamino)...)
Show SMILES COc1ccc(NCc2ccc(\C=C\C(=O)Nc3ccccc3N)cc2)cc1
Show InChI InChI=1S/C23H23N3O2/c1-28-20-13-11-19(12-14-20)25-16-18-8-6-17(7-9-18)10-15-23(27)26-22-5-3-2-4-21(22)24/h2-15,25H,16,24H2,1H3,(H,26,27)/b15-10+
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50187085
PNG
(6-(4-methoxybenzylamino)-N-(2-aminophenyl)nicotina...)
Show SMILES COc1ccc(CNc2ccc(cn2)C(=O)Nc2ccccc2N)cc1
Show InChI InChI=1S/C20H20N4O2/c1-26-16-9-6-14(7-10-16)12-22-19-11-8-15(13-23-19)20(25)24-18-5-3-2-4-17(18)21/h2-11,13H,12,21H2,1H3,(H,22,23)(H,24,25)
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50187105
PNG
((E)-3-(4-(4-methoxybenzylamino)phenyl)-N-(2-aminop...)
Show SMILES COc1ccc(CNc2ccc(\C=C\C(=O)Nc3ccccc3N)cc2)cc1
Show InChI InChI=1S/C23H23N3O2/c1-28-20-13-8-18(9-14-20)16-25-19-11-6-17(7-12-19)10-15-23(27)26-22-5-3-2-4-21(22)24/h2-15,25H,16,24H2,1H3,(H,26,27)/b15-10+
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50372460
PNG
(CHEMBL269908)
Show SMILES COc1cc(NC\C=C\c2ccc(cc2)C(=O)Nc2ccccc2N)cc(OC)c1OC
Show InChI InChI=1S/C25H27N3O4/c1-30-22-15-19(16-23(31-2)24(22)32-3)27-14-6-7-17-10-12-18(13-11-17)25(29)28-21-9-5-4-8-20(21)26/h4-13,15-16,27H,14,26H2,1-3H3,(H,28,29)/b7-6+
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50187098
PNG
(4-(3,4-dimethoxybenzylamino)-N-(2-aminophenyl)benz...)
Show SMILES COc1ccc(CNc2ccc(cc2)C(=O)Nc2ccccc2N)cc1OC
Show InChI InChI=1S/C22H23N3O3/c1-27-20-12-7-15(13-21(20)28-2)14-24-17-10-8-16(9-11-17)22(26)25-19-6-4-3-5-18(19)23/h3-13,24H,14,23H2,1-2H3,(H,25,26)
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50195110
PNG
((S)-2-acetamido-8-oxo-N-(2-(2-phenyl-1H-indol-3-yl...)
Show SMILES CC(=O)CCCCC[C@H](NC(C)=O)C(=O)NCCc1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C27H33N3O3/c1-19(31)11-5-3-8-16-25(29-20(2)32)27(33)28-18-17-23-22-14-9-10-15-24(22)30-26(23)21-12-6-4-7-13-21/h4,6-7,9-10,12-15,25,30H,3,5,8,11,16-18H2,1-2H3,(H,28,33)(H,29,32)/t25-/m0/s1
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n/an/a 7.60E+3n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 from human HeLa cells


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50372469
PNG
(AZUMAMIDE E)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](C)[C@@H](CC=CCCC(O)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O |w:11.10|
Show InChI InChI=1S/C27H38N4O6/c1-16(2)23-27(37)28-18(4)25(35)30-21(15-19-11-7-5-8-12-19)26(36)29-20(17(3)24(34)31-23)13-9-6-10-14-22(32)33/h5-9,11-12,16-18,20-21,23H,10,13-15H2,1-4H3,(H,28,37)(H,29,36)(H,30,35)(H,31,34)(H,32,33)/t17-,18+,20+,21+,23+/m0/s1
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n/an/a 9.70E+3n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC7


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50372437
PNG
(CHEMBL552879)
Show SMILES ONC(=S)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O2S/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(19)16-18/h3-5,8-9,18H,1-2,6-7,10-11H2,(H,15,17)(H,16,19)
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50372469
PNG
(AZUMAMIDE E)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](C)[C@@H](CC=CCCC(O)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O |w:11.10|
Show InChI InChI=1S/C27H38N4O6/c1-16(2)23-27(37)28-18(4)25(35)30-21(15-19-11-7-5-8-12-19)26(36)29-20(17(3)24(34)31-23)13-9-6-10-14-22(32)33/h5-9,11-12,16-18,20-21,23H,10,13-15H2,1-4H3,(H,28,37)(H,29,36)(H,30,35)(H,31,34)(H,32,33)/t17-,18+,20+,21+,23+/m0/s1
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC5


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50372469
PNG
(AZUMAMIDE E)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](C)[C@@H](CC=CCCC(O)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O |w:11.10|
Show InChI InChI=1S/C27H38N4O6/c1-16(2)23-27(37)28-18(4)25(35)30-21(15-19-11-7-5-8-12-19)26(36)29-20(17(3)24(34)31-23)13-9-6-10-14-22(32)33/h5-9,11-12,16-18,20-21,23H,10,13-15H2,1-4H3,(H,28,37)(H,29,36)(H,30,35)(H,31,34)(H,32,33)/t17-,18+,20+,21+,23+/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC6


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM19423
PNG
(HDAC inhibitor, Compound 1 | N-[2-amino-5-(thiophe...)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1
Show InChI InChI=1S/C19H17N3O2S/c1-12(23)21-15-7-4-13(5-8-15)19(24)22-17-11-14(6-9-16(17)20)18-3-2-10-25-18/h2-11H,20H2,1H3,(H,21,23)(H,22,24)
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Curated by ChEMBL


Assay Description
Inhibition of HDAC6


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM19423
PNG
(HDAC inhibitor, Compound 1 | N-[2-amino-5-(thiophe...)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1
Show InChI InChI=1S/C19H17N3O2S/c1-12(23)21-15-7-4-13(5-8-15)19(24)22-17-11-14(6-9-16(17)20)18-3-2-10-25-18/h2-11H,20H2,1H3,(H,21,23)(H,22,24)
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Curated by ChEMBL


Assay Description
Inhibition of HDAC4


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM19423
PNG
(HDAC inhibitor, Compound 1 | N-[2-amino-5-(thiophe...)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1
Show InChI InChI=1S/C19H17N3O2S/c1-12(23)21-15-7-4-13(5-8-15)19(24)22-17-11-14(6-9-16(17)20)18-3-2-10-25-18/h2-11H,20H2,1H3,(H,21,23)(H,22,24)
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Curated by ChEMBL


Assay Description
Inhibition of HDAC5


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM19423
PNG
(HDAC inhibitor, Compound 1 | N-[2-amino-5-(thiophe...)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1
Show InChI InChI=1S/C19H17N3O2S/c1-12(23)21-15-7-4-13(5-8-15)19(24)22-17-11-14(6-9-16(17)20)18-3-2-10-25-18/h2-11H,20H2,1H3,(H,21,23)(H,22,24)
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Curated by ChEMBL


Assay Description
Inhibition of HDAC3


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM19423
PNG
(HDAC inhibitor, Compound 1 | N-[2-amino-5-(thiophe...)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1
Show InChI InChI=1S/C19H17N3O2S/c1-12(23)21-15-7-4-13(5-8-15)19(24)22-17-11-14(6-9-16(17)20)18-3-2-10-25-18/h2-11H,20H2,1H3,(H,21,23)(H,22,24)
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Curated by ChEMBL


Assay Description
Inhibition of HDAC8


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM19423
PNG
(HDAC inhibitor, Compound 1 | N-[2-amino-5-(thiophe...)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1
Show InChI InChI=1S/C19H17N3O2S/c1-12(23)21-15-7-4-13(5-8-15)19(24)22-17-11-14(6-9-16(17)20)18-3-2-10-25-18/h2-11H,20H2,1H3,(H,21,23)(H,22,24)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC7


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM24624
PNG
(CHEMBL272980 | MGCD-0103 | MGCD0103 | N-(2-aminoph...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cccnc2)cc1
Show InChI InChI=1S/C23H20N6O/c24-19-5-1-2-6-21(19)28-22(30)17-9-7-16(8-10-17)14-27-23-26-13-11-20(29-23)18-4-3-12-25-15-18/h1-13,15H,14,24H2,(H,28,30)(H,26,27,29)
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n/an/a>2.50E+4n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC8


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50372469
PNG
(AZUMAMIDE E)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](C)[C@@H](CC=CCCC(O)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O |w:11.10|
Show InChI InChI=1S/C27H38N4O6/c1-16(2)23-27(37)28-18(4)25(35)30-21(15-19-11-7-5-8-12-19)26(36)29-20(17(3)24(34)31-23)13-9-6-10-14-22(32)33/h5-9,11-12,16-18,20-21,23H,10,13-15H2,1-4H3,(H,28,37)(H,29,36)(H,30,35)(H,31,34)(H,32,33)/t17-,18+,20+,21+,23+/m0/s1
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n/an/a 2.80E+4n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC9


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM24624
PNG
(CHEMBL272980 | MGCD-0103 | MGCD0103 | N-(2-aminoph...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cccnc2)cc1
Show InChI InChI=1S/C23H20N6O/c24-19-5-1-2-6-21(19)28-22(30)17-9-7-16(8-10-17)14-27-23-26-13-11-20(29-23)18-4-3-12-25-15-18/h1-13,15H,14,24H2,(H,28,30)(H,26,27,29)
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC6


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50157890
PNG
(CHEMBL178150 | S-2-oxo-2-(6-oxo-6-(phenylamino)hex...)
Show SMILES CC(=O)SCC(=O)NCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C16H22N2O3S/c1-13(19)22-12-16(21)17-11-7-3-6-10-15(20)18-14-8-4-2-5-9-14/h2,4-5,8-9H,3,6-7,10-12H2,1H3,(H,17,21)(H,18,20)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50157889
PNG
(6-(2-Hydroxy-acetylamino)-hexanoic acid phenylamid...)
Show SMILES OCC(=O)NCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-11-14(19)15-10-6-2-5-9-13(18)16-12-7-3-1-4-8-12/h1,3-4,7-8,17H,2,5-6,9-11H2,(H,15,19)(H,16,18)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50372458
PNG
(CHEMBL272612)
Show SMILES CSCC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C16H23NO2S/c1-20-13-15(18)11-7-2-3-8-12-16(19)17-14-9-5-4-6-10-14/h4-6,9-10H,2-3,7-8,11-13H2,1H3,(H,17,19)
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50372459
PNG
(CHEMBL270962)
Show SMILES SCC(=S)NCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2OS2/c17-13(16-12-7-3-1-4-8-12)9-5-2-6-10-15-14(19)11-18/h1,3-4,7-8,18H,2,5-6,9-11H2,(H,15,19)(H,16,17)
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM19410
PNG
(CHEMBL27759 | MS-275 | US9265734, MS-275 | US97966...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1
Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)
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n/an/a 4.49E+4n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC8


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM19410
PNG
(CHEMBL27759 | MS-275 | US9265734, MS-275 | US97966...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1
Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC6


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50372440
PNG
(CHEMBL260957)
Show SMILES Nc1ccccc1NC(=O)CCCCCCNC(=O)c1ccc(nc1)-c1ccccc1
Show InChI InChI=1S/C25H28N4O2/c26-21-12-7-8-13-23(21)29-24(30)14-6-1-2-9-17-27-25(31)20-15-16-22(28-18-20)19-10-4-3-5-11-19/h3-5,7-8,10-13,15-16,18H,1-2,6,9,14,17,26H2,(H,27,31)(H,29,30)
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n/an/an/an/a 5.00E+3n/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 assessed as histone H4 acetylation in cell based assay


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM19410
PNG
(CHEMBL27759 | MS-275 | US9265734, MS-275 | US97966...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1
Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)
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n/an/an/an/a 1.00E+3n/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 assessed as histone H4 acetylation in cell based assay


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50372442
PNG
(CHEMBL260740)
Show SMILES Nc1ccccc1NC(=O)CCCCCCNC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H29N3O2/c27-23-12-7-8-13-24(23)29-25(30)14-6-1-2-9-19-28-26(31)22-17-15-21(16-18-22)20-10-4-3-5-11-20/h3-5,7-8,10-13,15-18H,1-2,6,9,14,19,27H2,(H,28,31)(H,29,30)
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Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 assessed as histone H4 acetylation in cell based assay


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50372441
PNG
(CHEMBL260958)
Show SMILES Nc1ccccc1NC(=O)CCCCCCNC(=O)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C26H29N3O2/c27-23-15-7-8-16-24(23)29-25(30)17-6-1-2-9-18-28-26(31)22-14-10-13-21(19-22)20-11-4-3-5-12-20/h3-5,7-8,10-16,19H,1-2,6,9,17-18,27H2,(H,28,31)(H,29,30)
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n/an/an/an/a 2.50E+4n/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 assessed as histone H4 acetylation in cell based assay


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%