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PubMed code 18182289

Compile data set for download or QSAR
Found 127 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))
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 7n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50374057
PNG
(CHEMBL407560)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1ccsc1
Show InChI InChI=1S/C19H17N3O2S/c1-12(23)21-16-5-2-13(3-6-16)19(24)22-18-10-14(4-7-17(18)20)15-8-9-25-11-15/h2-11H,20H2,1H3,(H,21,23)(H,22,24)
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n/an/a 7n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50374059
PNG
(CHEMBL403100)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1O)-c1ccccc1
Show InChI InChI=1S/C21H18N2O3/c1-14(24)22-18-10-7-16(8-11-18)21(26)23-19-13-17(9-12-20(19)25)15-5-3-2-4-6-15/h2-13,25H,1H3,(H,22,24)(H,23,26)
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n/an/a 18n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50374010
PNG
(CHEMBL271498)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1ccccc1
Show InChI InChI=1S/C21H19N3O2/c1-14(25)23-18-10-7-16(8-11-18)21(26)24-20-13-17(9-12-19(20)22)15-5-3-2-4-6-15/h2-13H,22H2,1H3,(H,23,25)(H,24,26)
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n/an/a 28n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50232035
PNG
(CHEMBL255805 | N-(4-amino-biphenyl-3-yl)-nicotinam...)
Show SMILES Nc1ccc(cc1NC(=O)c1cccnc1)-c1ccccc1
Show InChI InChI=1S/C18H15N3O/c19-16-9-8-14(13-5-2-1-3-6-13)11-17(16)21-18(22)15-7-4-10-20-12-15/h1-12H,19H2,(H,21,22)
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n/an/a 48n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50374007
PNG
(CHEMBL271949)
Show SMILES Nc1ccc(cc1NC(=O)c1ccccc1)-c1cccs1
Show InChI InChI=1S/C17H14N2OS/c18-14-9-8-13(16-7-4-10-21-16)11-15(14)19-17(20)12-5-2-1-3-6-12/h1-11H,18H2,(H,19,20)
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n/an/a 48n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
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 49n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC2


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50374040
PNG
(CHEMBL256441)
Show SMILES Nc1ccc(cc1NC(=O)c1cccnc1)-c1ccsc1
Show InChI InChI=1S/C16H13N3OS/c17-14-4-3-11(13-5-7-21-10-13)8-15(14)19-16(20)12-2-1-6-18-9-12/h1-10H,17H2,(H,19,20)
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n/an/a 52n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50232005
PNG
(CHEMBL269935 | N-(4-hydroxy-biphenyl-3-yl)-benzami...)
Show SMILES Oc1ccc(cc1NC(=O)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H15NO2/c21-18-12-11-16(14-7-3-1-4-8-14)13-17(18)20-19(22)15-9-5-2-6-10-15/h1-13,21H,(H,20,22)
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n/an/a 58n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50374011
PNG
(CHEMBL437029)
Show SMILES C[C@H]1CN(CCN1C(=O)OCc1ccccc1)c1ccc(cn1)C(=O)Nc1cc(ccc1N)-c1ccccc1
Show InChI InChI=1S/C31H31N5O3/c1-22-20-35(16-17-36(22)31(38)39-21-23-8-4-2-5-9-23)29-15-13-26(19-33-29)30(37)34-28-18-25(12-14-27(28)32)24-10-6-3-7-11-24/h2-15,18-19,22H,16-17,20-21,32H2,1H3,(H,34,37)/t22-/m0/s1
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n/an/a 59n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50232053
PNG
(CHEMBL271741 | N-(4-amino-biphenyl-3-yl)-benzamide...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H16N2O/c20-17-12-11-16(14-7-3-1-4-8-14)13-18(17)21-19(22)15-9-5-2-6-10-15/h1-13H,20H2,(H,21,22)
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n/an/a 60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50232034
PNG
(CHEMBL256440 | N-(2-amino-5-(thiophen-2-yl)phenyl)...)
Show SMILES Nc1ccc(cc1NC(=O)c1cccnc1)-c1cccs1
Show InChI InChI=1S/C16H13N3OS/c17-13-6-5-11(15-4-2-8-21-15)9-14(13)19-16(20)12-3-1-7-18-10-12/h1-10H,17H2,(H,19,20)
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n/an/a 65n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50374024
PNG
(CHEMBL427900)
Show SMILES Oc1ccc(cc1NC(=O)c1cccnc1)-c1ccccc1
Show InChI InChI=1S/C18H14N2O2/c21-17-9-8-14(13-5-2-1-3-6-13)11-16(17)20-18(22)15-7-4-10-19-12-15/h1-12,21H,(H,20,22)
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n/an/a 68n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50374023
PNG
(CHEMBL257202)
Show SMILES Oc1ccc(cc1NC(=O)c1ccncc1)-c1ccccc1
Show InChI InChI=1S/C18H14N2O2/c21-17-7-6-15(13-4-2-1-3-5-13)12-16(17)20-18(22)14-8-10-19-11-9-14/h1-12,21H,(H,20,22)
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n/an/a 75n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50374019
PNG
(CHEMBL258128)
Show SMILES Oc1ccc(cc1NC(=O)c1ccno1)-c1ccccc1
Show InChI InChI=1S/C16H12N2O3/c19-14-7-6-12(11-4-2-1-3-5-11)10-13(14)18-16(20)15-8-9-17-21-15/h1-10,19H,(H,18,20)
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n/an/a 100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50229199
PNG
(CHEMBL398884 | thiophene-2-carboxylic acid (4-hydr...)
Show SMILES Oc1ccc(cc1NC(=O)c1cccs1)-c1ccccc1
Show InChI InChI=1S/C17H13NO2S/c19-15-9-8-13(12-5-2-1-3-6-12)11-14(15)18-17(20)16-7-4-10-21-16/h1-11,19H,(H,18,20)
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n/an/a 130n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50374022
PNG
(CHEMBL411518)
Show SMILES Oc1ccc(cc1NC(=O)c1cc2ccccc2s1)-c1ccccc1
Show InChI InChI=1S/C21H15NO2S/c23-18-11-10-15(14-6-2-1-3-7-14)12-17(18)22-21(24)20-13-16-8-4-5-9-19(16)25-20/h1-13,23H,(H,22,24)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50374020
PNG
(CHEMBL255842)
Show SMILES Oc1ccc(cc1NC(=O)c1ccco1)-c1ccccc1
Show InChI InChI=1S/C17H13NO3/c19-15-9-8-13(12-5-2-1-3-6-12)11-14(15)18-17(20)16-7-4-10-21-16/h1-11,19H,(H,18,20)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50374050
PNG
(CHEMBL257656)
Show SMILES Nc1ccc(cc1NC(=O)c1cccnc1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H14FN3O/c19-15-6-3-12(4-7-15)13-5-8-16(20)17(10-13)22-18(23)14-2-1-9-21-11-14/h1-11H,20H2,(H,22,23)
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n/an/a 140n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50374039
PNG
(CHEMBL255594)
Show SMILES Nc1ccc(cc1NC(=O)c1cccnc1)-c1ccoc1
Show InChI InChI=1S/C16H13N3O2/c17-14-4-3-11(13-5-7-21-10-13)8-15(14)19-16(20)12-2-1-6-18-9-12/h1-10H,17H2,(H,19,20)
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n/an/a 160n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50232005
PNG
(CHEMBL269935 | N-(4-hydroxy-biphenyl-3-yl)-benzami...)
Show SMILES Oc1ccc(cc1NC(=O)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H15NO2/c21-18-12-11-16(14-7-3-1-4-8-14)13-17(18)20-19(22)15-9-5-2-6-10-15/h1-13,21H,(H,20,22)
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n/an/a 200n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC2


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50374047
PNG
(CHEMBL270377)
Show SMILES Nc1ccc(cc1NC(=O)c1cccnc1)-c1ccc(CC#N)cc1
Show InChI InChI=1S/C20H16N4O/c21-10-9-14-3-5-15(6-4-14)16-7-8-18(22)19(12-16)24-20(25)17-2-1-11-23-13-17/h1-8,11-13H,9,22H2,(H,24,25)
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n/an/a 250n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50374025
PNG
(CHEMBL270360)
Show SMILES Oc1ccc(cc1NC(=O)c1ccccn1)-c1ccccc1
Show InChI InChI=1S/C18H14N2O2/c21-17-10-9-14(13-6-2-1-3-7-13)12-16(17)20-18(22)15-8-4-5-11-19-15/h1-12,21H,(H,20,22)
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n/an/a 310n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50374049
PNG
(CHEMBL257855)
Show SMILES Nc1ccc(cc1)-c1ccc(N)c(NC(=O)c2cccnc2)c1
Show InChI InChI=1S/C18H16N4O/c19-15-6-3-12(4-7-15)13-5-8-16(20)17(10-13)22-18(23)14-2-1-9-21-11-14/h1-11H,19-20H2,(H,22,23)
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n/an/a 330n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50374021
PNG
(CHEMBL402397)
Show SMILES Oc1ccc(cc1NC(=O)c1nc2ccccc2s1)-c1ccccc1
Show InChI InChI=1S/C20H14N2O2S/c23-17-11-10-14(13-6-2-1-3-7-13)12-16(17)21-19(24)20-22-15-8-4-5-9-18(15)25-20/h1-12,23H,(H,21,24)
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n/an/a 350n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50374007
PNG
(CHEMBL271949)
Show SMILES Nc1ccc(cc1NC(=O)c1ccccc1)-c1cccs1
Show InChI InChI=1S/C17H14N2OS/c18-14-9-8-13(16-7-4-10-21-16)11-15(14)19-17(20)12-5-2-1-3-6-12/h1-11H,18H2,(H,19,20)
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n/an/a 360n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC2


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50374016
PNG
(CHEMBL403694)
Show SMILES Nc1ccc(cc1)C(=O)Nc1cc(ccc1O)-c1ccccc1
Show InChI InChI=1S/C19H16N2O2/c20-16-9-6-14(7-10-16)19(23)21-17-12-15(8-11-18(17)22)13-4-2-1-3-5-13/h1-12,22H,20H2,(H,21,23)
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n/an/a 400n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50374017
PNG
(CHEMBL255737)
Show SMILES Nc1cccc(c1)C(=O)Nc1cc(ccc1O)-c1ccccc1
Show InChI InChI=1S/C19H16N2O2/c20-16-8-4-7-15(11-16)19(23)21-17-12-14(9-10-18(17)22)13-5-2-1-3-6-13/h1-12,22H,20H2,(H,21,23)
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n/an/a 440n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM19422
PNG
(4-(acetylamino)-N-(2-amino-phenyl) benzamide | CI-...)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1N
Show InChI InChI=1S/C15H15N3O2/c1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16/h2-9H,16H2,1H3,(H,17,19)(H,18,20)
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n/an/a 570n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50374014
PNG
(CHEMBL273000)
Show SMILES Oc1ccc(cc1NC(=O)CCCc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H21NO2/c24-21-15-14-19(18-11-5-2-6-12-18)16-20(21)23-22(25)13-7-10-17-8-3-1-4-9-17/h1-6,8-9,11-12,14-16,24H,7,10,13H2,(H,23,25)
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n/an/a 610n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50374011
PNG
(CHEMBL437029)
Show SMILES C[C@H]1CN(CCN1C(=O)OCc1ccccc1)c1ccc(cn1)C(=O)Nc1cc(ccc1N)-c1ccccc1
Show InChI InChI=1S/C31H31N5O3/c1-22-20-35(16-17-36(22)31(38)39-21-23-8-4-2-5-9-23)29-15-13-26(19-33-29)30(37)34-28-18-25(12-14-27(28)32)24-10-6-3-7-11-24/h2-15,18-19,22H,16-17,20-21,32H2,1H3,(H,34,37)/t22-/m0/s1
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n/an/a 640n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC2


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50374037
PNG
(CHEMBL256656)
Show SMILES Nc1ccc(cc1NC(=O)c1cccnc1)-c1ccncc1
Show InChI InChI=1S/C17H14N4O/c18-15-4-3-13(12-5-8-19-9-6-12)10-16(15)21-17(22)14-2-1-7-20-11-14/h1-11H,18H2,(H,21,22)
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n/an/a 650n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50374036
PNG
(CHEMBL403962)
Show SMILES Nc1ccc(cc1NC(=O)c1cccnc1)N1CCCC1
Show InChI InChI=1S/C16H18N4O/c17-14-6-5-13(20-8-1-2-9-20)10-15(14)19-16(21)12-4-3-7-18-11-12/h3-7,10-11H,1-2,8-9,17H2,(H,19,21)
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n/an/a 670n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50232053
PNG
(CHEMBL271741 | N-(4-amino-biphenyl-3-yl)-benzamide...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H16N2O/c20-17-12-11-16(14-7-3-1-4-8-14)13-18(17)21-19(22)15-9-5-2-6-10-15/h1-13H,20H2,(H,21,22)
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n/an/a 780n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC2


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50374038
PNG
(CHEMBL255804)
Show SMILES Nc1ccc(cc1NC(=O)c1cccnc1)-n1ccnc1
Show InChI InChI=1S/C15H13N5O/c16-13-4-3-12(20-7-6-18-10-20)8-14(13)19-15(21)11-2-1-5-17-9-11/h1-10H,16H2,(H,19,21)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50374013
PNG
(CHEMBL438736)
Show SMILES Oc1ccc(cc1NC(=O)C\C=C\c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H19NO2/c24-21-15-14-19(18-11-5-2-6-12-18)16-20(21)23-22(25)13-7-10-17-8-3-1-4-9-17/h1-12,14-16,24H,13H2,(H,23,25)/b10-7+
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n/an/a 1.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50374044
PNG
(CHEMBL403256)
Show SMILES Nc1ccc(cc1NC(=O)c1cccnc1)-c1ccc(cc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C26H21N3O3/c27-23-13-12-21(15-24(23)29-25(30)22-7-4-14-28-16-22)19-8-10-20(11-9-19)26(31)32-17-18-5-2-1-3-6-18/h1-16H,17,27H2,(H,29,30)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50374041
PNG
(CHEMBL257953)
Show SMILES COC(=O)CCc1ccc(cc1)-c1ccc(N)c(NC(=O)c2cccnc2)c1
Show InChI InChI=1S/C22H21N3O3/c1-28-21(26)11-6-15-4-7-16(8-5-15)17-9-10-19(23)20(13-17)25-22(27)18-3-2-12-24-14-18/h2-5,7-10,12-14H,6,11,23H2,1H3,(H,25,27)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50374018
PNG
(CHEMBL438704)
Show SMILES Nc1ccccc1C(=O)Nc1cc(ccc1O)-c1ccccc1
Show InChI InChI=1S/C19H16N2O2/c20-16-9-5-4-8-15(16)19(23)21-17-12-14(10-11-18(17)22)13-6-2-1-3-7-13/h1-12,22H,20H2,(H,21,23)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50374046
PNG
(CHEMBL403227)
Show SMILES NCc1ccc(cc1)-c1ccc(N)c(NC(=O)c2cccnc2)c1
Show InChI InChI=1S/C19H18N4O/c20-11-13-3-5-14(6-4-13)15-7-8-17(21)18(10-15)23-19(24)16-2-1-9-22-12-16/h1-10,12H,11,20-21H2,(H,23,24)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50232046
PNG
(CHEMBL405072 | N-(2-aminophenyl)benzamide)
Show SMILES Nc1ccccc1NC(=O)c1ccccc1
Show InChI InChI=1S/C13H12N2O/c14-11-8-4-5-9-12(11)15-13(16)10-6-2-1-3-7-10/h1-9H,14H2,(H,15,16)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50220259
PNG
(CHEMBL236678 | N-(2-aminophenyl)nicotinamide)
Show SMILES Nc1ccccc1NC(=O)c1cccnc1
Show InChI InChI=1S/C12H11N3O/c13-10-5-1-2-6-11(10)15-12(16)9-4-3-7-14-8-9/h1-8H,13H2,(H,15,16)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50232046
PNG
(CHEMBL405072 | N-(2-aminophenyl)benzamide)
Show SMILES Nc1ccccc1NC(=O)c1ccccc1
Show InChI InChI=1S/C13H12N2O/c14-11-8-4-5-9-12(11)15-13(16)10-6-2-1-3-7-10/h1-9H,14H2,(H,15,16)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC3


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50232046
PNG
(CHEMBL405072 | N-(2-aminophenyl)benzamide)
Show SMILES Nc1ccccc1NC(=O)c1ccccc1
Show InChI InChI=1S/C13H12N2O/c14-11-8-4-5-9-12(11)15-13(16)10-6-2-1-3-7-10/h1-9H,14H2,(H,15,16)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC2


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50374035
PNG
(CHEMBL256657)
Show SMILES Nc1ccc(cc1NC(=O)c1cccnc1)C1CCCC1
Show InChI InChI=1S/C17H19N3O/c18-15-8-7-13(12-4-1-2-5-12)10-16(15)20-17(21)14-6-3-9-19-11-14/h3,6-12H,1-2,4-5,18H2,(H,20,21)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50374056
PNG
(CHEMBL402354)
Show SMILES COC(=O)c1ccc(N)c(NC(=O)c2ccc(NC(C)=O)cc2)c1
Show InChI InChI=1S/C17H17N3O4/c1-10(21)19-13-6-3-11(4-7-13)16(22)20-15-9-12(17(23)24-2)5-8-14(15)18/h3-9H,18H2,1-2H3,(H,19,21)(H,20,22)
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n/an/a 4.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM80350
PNG
(MLS000030849 | N-(2-hydroxy-5-phenyl-phenyl)acetam...)
Show SMILES CC(=O)Nc1cc(ccc1O)-c1ccccc1
Show InChI InChI=1S/C14H13NO2/c1-10(16)15-13-9-12(7-8-14(13)17)11-5-3-2-4-6-11/h2-9,17H,1H3,(H,15,16)
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n/an/a 4.80E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50374048
PNG
(CHEMBL403448)
Show SMILES CN(C)c1ccc(cc1)-c1ccc(N)c(NC(=O)c2cccnc2)c1
Show InChI InChI=1S/C20H20N4O/c1-24(2)17-8-5-14(6-9-17)15-7-10-18(21)19(12-15)23-20(25)16-4-3-11-22-13-16/h3-13H,21H2,1-2H3,(H,23,25)
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n/an/a 5.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
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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n/an/a 1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC3


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
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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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC8


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
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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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC6


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
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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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC7


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
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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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC5


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
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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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC4


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50232053
PNG
(CHEMBL271741 | N-(4-amino-biphenyl-3-yl)-benzamide...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H16N2O/c20-17-12-11-16(14-7-3-1-4-8-14)13-18(17)21-19(22)15-9-5-2-6-10-15/h1-13H,20H2,(H,21,22)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC3


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50374007
PNG
(CHEMBL271949)
Show SMILES Nc1ccc(cc1NC(=O)c1ccccc1)-c1cccs1
Show InChI InChI=1S/C17H14N2OS/c18-14-9-8-13(16-7-4-10-21-16)11-15(14)19-17(20)12-5-2-1-3-6-12/h1-11H,18H2,(H,19,20)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC3


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50374042
PNG
(CHEMBL257426)
Show SMILES Nc1ccc(cc1NC(=O)c1cccnc1)-c1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C21H19N3O3/c22-18-9-8-16(15-6-3-14(4-7-15)5-10-20(25)26)12-19(18)24-21(27)17-2-1-11-23-13-17/h1-4,6-9,11-13H,5,10,22H2,(H,24,27)(H,25,26)
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n/an/a 1.30E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50374034
PNG
(CHEMBL256655)
Show SMILES CN(C)c1ccc(N)c(NC(=O)c2cccnc2)c1
Show InChI InChI=1S/C14H16N4O/c1-18(2)11-5-6-12(15)13(8-11)17-14(19)10-4-3-7-16-9-10/h3-9H,15H2,1-2H3,(H,17,19)
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n/an/a 4.40E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50374007
PNG
(CHEMBL271949)
Show SMILES Nc1ccc(cc1NC(=O)c1ccccc1)-c1cccs1
Show InChI InChI=1S/C17H14N2OS/c18-14-9-8-13(16-7-4-10-21-16)11-15(14)19-17(20)12-5-2-1-3-6-12/h1-11H,18H2,(H,19,20)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC11


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50232034
PNG
(CHEMBL256440 | N-(2-amino-5-(thiophen-2-yl)phenyl)...)
Show SMILES Nc1ccc(cc1NC(=O)c1cccnc1)-c1cccs1
Show InChI InChI=1S/C16H13N3OS/c17-13-6-5-11(15-4-2-8-21-15)9-14(13)19-16(20)12-3-1-7-18-10-12/h1-10H,17H2,(H,19,20)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC5


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50232046
PNG
(CHEMBL405072 | N-(2-aminophenyl)benzamide)
Show SMILES Nc1ccccc1NC(=O)c1ccccc1
Show InChI InChI=1S/C13H12N2O/c14-11-8-4-5-9-12(11)15-13(16)10-6-2-1-3-7-10/h1-9H,14H2,(H,15,16)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC11


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50232035
PNG
(CHEMBL255805 | N-(4-amino-biphenyl-3-yl)-nicotinam...)
Show SMILES Nc1ccc(cc1NC(=O)c1cccnc1)-c1ccccc1
Show InChI InChI=1S/C18H15N3O/c19-16-9-8-14(13-5-2-1-3-6-13)11-17(16)21-18(22)15-7-4-10-20-12-15/h1-12H,19H2,(H,21,22)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC6


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50374028
PNG
(CHEMBL402092)
Show SMILES Nc1ccc(cc1NC(=O)c1cccnc1)C(F)(F)F
Show InChI InChI=1S/C13H10F3N3O/c14-13(15,16)9-3-4-10(17)11(6-9)19-12(20)8-2-1-5-18-7-8/h1-7H,17H2,(H,19,20)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50374054
PNG
(CHEMBL273153)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1N)C(=O)Nc1ccccc1
Show InChI InChI=1S/C22H20N4O3/c1-14(27)24-18-10-7-15(8-11-18)21(28)26-20-13-16(9-12-19(20)23)22(29)25-17-5-3-2-4-6-17/h2-13H,23H2,1H3,(H,24,27)(H,25,29)(H,26,28)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50374055
PNG
(CHEMBL269944)
Show SMILES CNC(=O)c1ccc(N)c(NC(=O)c2ccc(NC(C)=O)cc2)c1
Show InChI InChI=1S/C17H18N4O3/c1-10(22)20-13-6-3-11(4-7-13)17(24)21-15-9-12(16(23)19-2)5-8-14(15)18/h3-9H,18H2,1-2H3,(H,19,23)(H,20,22)(H,21,24)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50232046
PNG
(CHEMBL405072 | N-(2-aminophenyl)benzamide)
Show SMILES Nc1ccccc1NC(=O)c1ccccc1
Show InChI InChI=1S/C13H12N2O/c14-11-8-4-5-9-12(11)15-13(16)10-6-2-1-3-7-10/h1-9H,14H2,(H,15,16)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC7


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50232035
PNG
(CHEMBL255805 | N-(4-amino-biphenyl-3-yl)-nicotinam...)
Show SMILES Nc1ccc(cc1NC(=O)c1cccnc1)-c1ccccc1
Show InChI InChI=1S/C18H15N3O/c19-16-9-8-14(13-5-2-1-3-6-13)11-17(16)21-18(22)15-7-4-10-20-12-15/h1-12H,19H2,(H,21,22)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC7


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50374007
PNG
(CHEMBL271949)
Show SMILES Nc1ccc(cc1NC(=O)c1ccccc1)-c1cccs1
Show InChI InChI=1S/C17H14N2OS/c18-14-9-8-13(16-7-4-10-21-16)11-15(14)19-17(20)12-5-2-1-3-6-12/h1-11H,18H2,(H,19,20)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC8


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50232005
PNG
(CHEMBL269935 | N-(4-hydroxy-biphenyl-3-yl)-benzami...)
Show SMILES Oc1ccc(cc1NC(=O)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H15NO2/c21-18-12-11-16(14-7-3-1-4-8-14)13-17(18)20-19(22)15-9-5-2-6-10-15/h1-13,21H,(H,20,22)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC7


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50374032
PNG
(CHEMBL408755)
Show SMILES Nc1ccc(cc1NC(=O)c1cccnc1)C(O)=O
Show InChI InChI=1S/C13H11N3O3/c14-10-4-3-8(13(18)19)6-11(10)16-12(17)9-2-1-5-15-7-9/h1-7H,14H2,(H,16,17)(H,18,19)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50374051
PNG
(CHEMBL428600)
Show SMILES Nc1ccc(cc1NC(=O)c1cccnc1)-c1ccc(cc1)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C28H27N5O/c29-26-13-10-22(19-27(26)31-28(34)23-5-4-14-30-20-23)21-8-11-25(12-9-21)33-17-15-32(16-18-33)24-6-2-1-3-7-24/h1-14,19-20H,15-18,29H2,(H,31,34)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50374052
PNG
(CHEMBL402973)
Show SMILES Nc1ccc(cc1NC(=O)c1cccnc1)-c1ccc(CCc2ccccc2)cc1
Show InChI InChI=1S/C26H23N3O/c27-24-15-14-22(17-25(24)29-26(30)23-7-4-16-28-18-23)21-12-10-20(11-13-21)9-8-19-5-2-1-3-6-19/h1-7,10-18H,8-9,27H2,(H,29,30)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50374053
PNG
(CHEMBL257949)
Show SMILES Nc1ccc(cc1NC(=O)c1cccnc1)-c1ccc(cc1)C(=O)c1ccccc1
Show InChI InChI=1S/C25H19N3O2/c26-22-13-12-20(15-23(22)28-25(30)21-7-4-14-27-16-21)17-8-10-19(11-9-17)24(29)18-5-2-1-3-6-18/h1-16H,26H2,(H,28,30)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50374058
PNG
(CHEMBL271497)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1F)-c1ccccc1
Show InChI InChI=1S/C21H17FN2O2/c1-14(25)23-18-10-7-16(8-11-18)21(26)24-20-13-17(9-12-19(20)22)15-5-3-2-4-6-15/h2-13H,1H3,(H,23,25)(H,24,26)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50374011
PNG
(CHEMBL437029)
Show SMILES C[C@H]1CN(CCN1C(=O)OCc1ccccc1)c1ccc(cn1)C(=O)Nc1cc(ccc1N)-c1ccccc1
Show InChI InChI=1S/C31H31N5O3/c1-22-20-35(16-17-36(22)31(38)39-21-23-8-4-2-5-9-23)29-15-13-26(19-33-29)30(37)34-28-18-25(12-14-27(28)32)24-10-6-3-7-11-24/h2-15,18-19,22H,16-17,20-21,32H2,1H3,(H,34,37)/t22-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC4


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50374011
PNG
(CHEMBL437029)
Show SMILES C[C@H]1CN(CCN1C(=O)OCc1ccccc1)c1ccc(cn1)C(=O)Nc1cc(ccc1N)-c1ccccc1
Show InChI InChI=1S/C31H31N5O3/c1-22-20-35(16-17-36(22)31(38)39-21-23-8-4-2-5-9-23)29-15-13-26(19-33-29)30(37)34-28-18-25(12-14-27(28)32)24-10-6-3-7-11-24/h2-15,18-19,22H,16-17,20-21,32H2,1H3,(H,34,37)/t22-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC8


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50220259
PNG
(CHEMBL236678 | N-(2-aminophenyl)nicotinamide)
Show SMILES Nc1ccccc1NC(=O)c1cccnc1
Show InChI InChI=1S/C12H11N3O/c13-10-5-1-2-6-11(10)15-12(16)9-4-3-7-14-8-9/h1-8H,13H2,(H,15,16)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC4


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50220259
PNG
(CHEMBL236678 | N-(2-aminophenyl)nicotinamide)
Show SMILES Nc1ccccc1NC(=O)c1cccnc1
Show InChI InChI=1S/C12H11N3O/c13-10-5-1-2-6-11(10)15-12(16)9-4-3-7-14-8-9/h1-8H,13H2,(H,15,16)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC11


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50232046
PNG
(CHEMBL405072 | N-(2-aminophenyl)benzamide)
Show SMILES Nc1ccccc1NC(=O)c1ccccc1
Show InChI InChI=1S/C13H12N2O/c14-11-8-4-5-9-12(11)15-13(16)10-6-2-1-3-7-10/h1-9H,14H2,(H,15,16)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC6


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50232034
PNG
(CHEMBL256440 | N-(2-amino-5-(thiophen-2-yl)phenyl)...)
Show SMILES Nc1ccc(cc1NC(=O)c1cccnc1)-c1cccs1
Show InChI InChI=1S/C16H13N3OS/c17-13-6-5-11(15-4-2-8-21-15)9-14(13)19-16(20)12-3-1-7-18-10-12/h1-10H,17H2,(H,19,20)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC6


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50374007
PNG
(CHEMBL271949)
Show SMILES Nc1ccc(cc1NC(=O)c1ccccc1)-c1cccs1
Show InChI InChI=1S/C17H14N2OS/c18-14-9-8-13(16-7-4-10-21-16)11-15(14)19-17(20)12-5-2-1-3-6-12/h1-11H,18H2,(H,19,20)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC7


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50232034
PNG
(CHEMBL256440 | N-(2-amino-5-(thiophen-2-yl)phenyl)...)
Show SMILES Nc1ccc(cc1NC(=O)c1cccnc1)-c1cccs1
Show InChI InChI=1S/C16H13N3OS/c17-13-6-5-11(15-4-2-8-21-15)9-14(13)19-16(20)12-3-1-7-18-10-12/h1-10H,17H2,(H,19,20)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC8


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50232034
PNG
(CHEMBL256440 | N-(2-amino-5-(thiophen-2-yl)phenyl)...)
Show SMILES Nc1ccc(cc1NC(=O)c1cccnc1)-c1cccs1
Show InChI InChI=1S/C16H13N3OS/c17-13-6-5-11(15-4-2-8-21-15)9-14(13)19-16(20)12-3-1-7-18-10-12/h1-10H,17H2,(H,19,20)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC11


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50232005
PNG
(CHEMBL269935 | N-(4-hydroxy-biphenyl-3-yl)-benzami...)
Show SMILES Oc1ccc(cc1NC(=O)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H15NO2/c21-18-12-11-16(14-7-3-1-4-8-14)13-17(18)20-19(22)15-9-5-2-6-10-15/h1-13,21H,(H,20,22)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC5


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50232034
PNG
(CHEMBL256440 | N-(2-amino-5-(thiophen-2-yl)phenyl)...)
Show SMILES Nc1ccc(cc1NC(=O)c1cccnc1)-c1cccs1
Show InChI InChI=1S/C16H13N3OS/c17-13-6-5-11(15-4-2-8-21-15)9-14(13)19-16(20)12-3-1-7-18-10-12/h1-10H,17H2,(H,19,20)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC7


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50374030
PNG
(CHEMBL271032)
Show SMILES CNC(=O)c1ccc(N)c(NC(=O)c2cccnc2)c1
Show InChI InChI=1S/C14H14N4O2/c1-16-13(19)9-4-5-11(15)12(7-9)18-14(20)10-3-2-6-17-8-10/h2-8H,15H2,1H3,(H,16,19)(H,18,20)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50374043
PNG
(CHEMBL257427)
Show SMILES Nc1ccc(cc1NC(=O)c1cccnc1)-c1ccc(cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C23H22N4O3/c24-20-8-7-18(14-21(20)26-22(28)19-2-1-9-25-15-19)16-3-5-17(6-4-16)23(29)27-10-12-30-13-11-27/h1-9,14-15H,10-13,24H2,(H,26,28)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50374007
PNG
(CHEMBL271949)
Show SMILES Nc1ccc(cc1NC(=O)c1ccccc1)-c1cccs1
Show InChI InChI=1S/C17H14N2OS/c18-14-9-8-13(16-7-4-10-21-16)11-15(14)19-17(20)12-5-2-1-3-6-12/h1-11H,18H2,(H,19,20)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC5


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50232053
PNG
(CHEMBL271741 | N-(4-amino-biphenyl-3-yl)-benzamide...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H16N2O/c20-17-12-11-16(14-7-3-1-4-8-14)13-18(17)21-19(22)15-9-5-2-6-10-15/h1-13H,20H2,(H,21,22)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC5


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50374007
PNG
(CHEMBL271949)
Show SMILES Nc1ccc(cc1NC(=O)c1ccccc1)-c1cccs1
Show InChI InChI=1S/C17H14N2OS/c18-14-9-8-13(16-7-4-10-21-16)11-15(14)19-17(20)12-5-2-1-3-6-12/h1-11H,18H2,(H,19,20)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC6


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50232053
PNG
(CHEMBL271741 | N-(4-amino-biphenyl-3-yl)-benzamide...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H16N2O/c20-17-12-11-16(14-7-3-1-4-8-14)13-18(17)21-19(22)15-9-5-2-6-10-15/h1-13H,20H2,(H,21,22)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC7


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50232053
PNG
(CHEMBL271741 | N-(4-amino-biphenyl-3-yl)-benzamide...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H16N2O/c20-17-12-11-16(14-7-3-1-4-8-14)13-18(17)21-19(22)15-9-5-2-6-10-15/h1-13H,20H2,(H,21,22)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC8


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50374007
PNG
(CHEMBL271949)
Show SMILES Nc1ccc(cc1NC(=O)c1ccccc1)-c1cccs1
Show InChI InChI=1S/C17H14N2OS/c18-14-9-8-13(16-7-4-10-21-16)11-15(14)19-17(20)12-5-2-1-3-6-12/h1-11H,18H2,(H,19,20)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC4


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50232053
PNG
(CHEMBL271741 | N-(4-amino-biphenyl-3-yl)-benzamide...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H16N2O/c20-17-12-11-16(14-7-3-1-4-8-14)13-18(17)21-19(22)15-9-5-2-6-10-15/h1-13H,20H2,(H,21,22)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC6


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50232005
PNG
(CHEMBL269935 | N-(4-hydroxy-biphenyl-3-yl)-benzami...)
Show SMILES Oc1ccc(cc1NC(=O)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H15NO2/c21-18-12-11-16(14-7-3-1-4-8-14)13-17(18)20-19(22)15-9-5-2-6-10-15/h1-13,21H,(H,20,22)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC8


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50374026
PNG
(CHEMBL401586)
Show SMILES Nc1ccc(F)cc1NC(=O)c1cccnc1
Show InChI InChI=1S/C12H10FN3O/c13-9-3-4-10(14)11(6-9)16-12(17)8-2-1-5-15-7-8/h1-7H,14H2,(H,16,17)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50374029
PNG
(CHEMBL270818)
Show SMILES Cc1ccc(N)c(NC(=O)c2cccnc2)c1
Show InChI InChI=1S/C13H13N3O/c1-9-4-5-11(14)12(7-9)16-13(17)10-3-2-6-15-8-10/h2-8H,14H2,1H3,(H,16,17)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50374031
PNG
(CHEMBL272365)
Show SMILES COC(=O)c1ccc(N)c(NC(=O)c2cccnc2)c1
Show InChI InChI=1S/C14H13N3O3/c1-20-14(19)9-4-5-11(15)12(7-9)17-13(18)10-3-2-6-16-8-10/h2-8H,15H2,1H3,(H,17,18)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50374045
PNG
(CHEMBL269947)
Show SMILES Nc1ccc(cc1NC(=O)c1cccnc1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C19H15N3O3/c20-16-8-7-14(12-3-5-13(6-4-12)19(24)25)10-17(16)22-18(23)15-2-1-9-21-11-15/h1-11H,20H2,(H,22,23)(H,24,25)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50232046
PNG
(CHEMBL405072 | N-(2-aminophenyl)benzamide)
Show SMILES Nc1ccccc1NC(=O)c1ccccc1
Show InChI InChI=1S/C13H12N2O/c14-11-8-4-5-9-12(11)15-13(16)10-6-2-1-3-7-10/h1-9H,14H2,(H,15,16)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC4


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50232035
PNG
(CHEMBL255805 | N-(4-amino-biphenyl-3-yl)-nicotinam...)
Show SMILES Nc1ccc(cc1NC(=O)c1cccnc1)-c1ccccc1
Show InChI InChI=1S/C18H15N3O/c19-16-9-8-14(13-5-2-1-3-6-13)11-17(16)21-18(22)15-7-4-10-20-12-15/h1-12H,19H2,(H,21,22)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC5


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50232035
PNG
(CHEMBL255805 | N-(4-amino-biphenyl-3-yl)-nicotinam...)
Show SMILES Nc1ccc(cc1NC(=O)c1cccnc1)-c1ccccc1
Show InChI InChI=1S/C18H15N3O/c19-16-9-8-14(13-5-2-1-3-6-13)11-17(16)21-18(22)15-7-4-10-20-12-15/h1-12H,19H2,(H,21,22)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC8


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50232053
PNG
(CHEMBL271741 | N-(4-amino-biphenyl-3-yl)-benzamide...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H16N2O/c20-17-12-11-16(14-7-3-1-4-8-14)13-18(17)21-19(22)15-9-5-2-6-10-15/h1-13H,20H2,(H,21,22)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC11


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50232035
PNG
(CHEMBL255805 | N-(4-amino-biphenyl-3-yl)-nicotinam...)
Show SMILES Nc1ccc(cc1NC(=O)c1cccnc1)-c1ccccc1
Show InChI InChI=1S/C18H15N3O/c19-16-9-8-14(13-5-2-1-3-6-13)11-17(16)21-18(22)15-7-4-10-20-12-15/h1-12H,19H2,(H,21,22)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC11


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50374011
PNG
(CHEMBL437029)
Show SMILES C[C@H]1CN(CCN1C(=O)OCc1ccccc1)c1ccc(cn1)C(=O)Nc1cc(ccc1N)-c1ccccc1
Show InChI InChI=1S/C31H31N5O3/c1-22-20-35(16-17-36(22)31(38)39-21-23-8-4-2-5-9-23)29-15-13-26(19-33-29)30(37)34-28-18-25(12-14-27(28)32)24-10-6-3-7-11-24/h2-15,18-19,22H,16-17,20-21,32H2,1H3,(H,34,37)/t22-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC6


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50220259
PNG
(CHEMBL236678 | N-(2-aminophenyl)nicotinamide)
Show SMILES Nc1ccccc1NC(=O)c1cccnc1
Show InChI InChI=1S/C12H11N3O/c13-10-5-1-2-6-11(10)15-12(16)9-4-3-7-14-8-9/h1-8H,13H2,(H,15,16)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC6


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50374027
PNG
(CHEMBL255985)
Show SMILES Nc1ccc(Cl)cc1NC(=O)c1cccnc1
Show InChI InChI=1S/C12H10ClN3O/c13-9-3-4-10(14)11(6-9)16-12(17)8-2-1-5-15-7-8/h1-7H,14H2,(H,16,17)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50374011
PNG
(CHEMBL437029)
Show SMILES C[C@H]1CN(CCN1C(=O)OCc1ccccc1)c1ccc(cn1)C(=O)Nc1cc(ccc1N)-c1ccccc1
Show InChI InChI=1S/C31H31N5O3/c1-22-20-35(16-17-36(22)31(38)39-21-23-8-4-2-5-9-23)29-15-13-26(19-33-29)30(37)34-28-18-25(12-14-27(28)32)24-10-6-3-7-11-24/h2-15,18-19,22H,16-17,20-21,32H2,1H3,(H,34,37)/t22-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC3


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50374011
PNG
(CHEMBL437029)
Show SMILES C[C@H]1CN(CCN1C(=O)OCc1ccccc1)c1ccc(cn1)C(=O)Nc1cc(ccc1N)-c1ccccc1
Show InChI InChI=1S/C31H31N5O3/c1-22-20-35(16-17-36(22)31(38)39-21-23-8-4-2-5-9-23)29-15-13-26(19-33-29)30(37)34-28-18-25(12-14-27(28)32)24-10-6-3-7-11-24/h2-15,18-19,22H,16-17,20-21,32H2,1H3,(H,34,37)/t22-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC5


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50220259
PNG
(CHEMBL236678 | N-(2-aminophenyl)nicotinamide)
Show SMILES Nc1ccccc1NC(=O)c1cccnc1
Show InChI InChI=1S/C12H11N3O/c13-10-5-1-2-6-11(10)15-12(16)9-4-3-7-14-8-9/h1-8H,13H2,(H,15,16)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC7


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50220259
PNG
(CHEMBL236678 | N-(2-aminophenyl)nicotinamide)
Show SMILES Nc1ccccc1NC(=O)c1cccnc1
Show InChI InChI=1S/C12H11N3O/c13-10-5-1-2-6-11(10)15-12(16)9-4-3-7-14-8-9/h1-8H,13H2,(H,15,16)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC8


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50232005
PNG
(CHEMBL269935 | N-(4-hydroxy-biphenyl-3-yl)-benzami...)
Show SMILES Oc1ccc(cc1NC(=O)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H15NO2/c21-18-12-11-16(14-7-3-1-4-8-14)13-17(18)20-19(22)15-9-5-2-6-10-15/h1-13,21H,(H,20,22)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC4


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50232005
PNG
(CHEMBL269935 | N-(4-hydroxy-biphenyl-3-yl)-benzami...)
Show SMILES Oc1ccc(cc1NC(=O)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H15NO2/c21-18-12-11-16(14-7-3-1-4-8-14)13-17(18)20-19(22)15-9-5-2-6-10-15/h1-13,21H,(H,20,22)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC6


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50374008
PNG
(CHEMBL402117)
Show SMILES Nc1ccc(cc1NC(=O)c1cccnc1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C24H19N3O2/c25-22-13-10-18(15-23(22)27-24(28)19-5-4-14-26-16-19)17-8-11-21(12-9-17)29-20-6-2-1-3-7-20/h1-16H,25H2,(H,27,28)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50232034
PNG
(CHEMBL256440 | N-(2-amino-5-(thiophen-2-yl)phenyl)...)
Show SMILES Nc1ccc(cc1NC(=O)c1cccnc1)-c1cccs1
Show InChI InChI=1S/C16H13N3OS/c17-13-6-5-11(15-4-2-8-21-15)9-14(13)19-16(20)12-3-1-7-18-10-12/h1-10H,17H2,(H,19,20)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC4


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50374012
PNG
(CHEMBL256649)
Show SMILES Oc1ccc(cc1NC(=O)OCc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C20H17NO3/c22-19-12-11-17(16-9-5-2-6-10-16)13-18(19)21-20(23)24-14-15-7-3-1-4-8-15/h1-13,22H,14H2,(H,21,23)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50374011
PNG
(CHEMBL437029)
Show SMILES C[C@H]1CN(CCN1C(=O)OCc1ccccc1)c1ccc(cn1)C(=O)Nc1cc(ccc1N)-c1ccccc1
Show InChI InChI=1S/C31H31N5O3/c1-22-20-35(16-17-36(22)31(38)39-21-23-8-4-2-5-9-23)29-15-13-26(19-33-29)30(37)34-28-18-25(12-14-27(28)32)24-10-6-3-7-11-24/h2-15,18-19,22H,16-17,20-21,32H2,1H3,(H,34,37)/t22-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC7


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50220259
PNG
(CHEMBL236678 | N-(2-aminophenyl)nicotinamide)
Show SMILES Nc1ccccc1NC(=O)c1cccnc1
Show InChI InChI=1S/C12H11N3O/c13-10-5-1-2-6-11(10)15-12(16)9-4-3-7-14-8-9/h1-8H,13H2,(H,15,16)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC5


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50232035
PNG
(CHEMBL255805 | N-(4-amino-biphenyl-3-yl)-nicotinam...)
Show SMILES Nc1ccc(cc1NC(=O)c1cccnc1)-c1ccccc1
Show InChI InChI=1S/C18H15N3O/c19-16-9-8-14(13-5-2-1-3-6-13)11-17(16)21-18(22)15-7-4-10-20-12-15/h1-12H,19H2,(H,21,22)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC4


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50232005
PNG
(CHEMBL269935 | N-(4-hydroxy-biphenyl-3-yl)-benzami...)
Show SMILES Oc1ccc(cc1NC(=O)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H15NO2/c21-18-12-11-16(14-7-3-1-4-8-14)13-17(18)20-19(22)15-9-5-2-6-10-15/h1-13,21H,(H,20,22)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC3


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50232046
PNG
(CHEMBL405072 | N-(2-aminophenyl)benzamide)
Show SMILES Nc1ccccc1NC(=O)c1ccccc1
Show InChI InChI=1S/C13H12N2O/c14-11-8-4-5-9-12(11)15-13(16)10-6-2-1-3-7-10/h1-9H,14H2,(H,15,16)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC8


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50374009
PNG
(CHEMBL269945)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1N)C(O)=O
Show InChI InChI=1S/C16H15N3O4/c1-9(20)18-12-5-2-10(3-6-12)15(21)19-14-8-11(16(22)23)4-7-13(14)17/h2-8H,17H2,1H3,(H,18,20)(H,19,21)(H,22,23)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50232046
PNG
(CHEMBL405072 | N-(2-aminophenyl)benzamide)
Show SMILES Nc1ccccc1NC(=O)c1ccccc1
Show InChI InChI=1S/C13H12N2O/c14-11-8-4-5-9-12(11)15-13(16)10-6-2-1-3-7-10/h1-9H,14H2,(H,15,16)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC5


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50232005
PNG
(CHEMBL269935 | N-(4-hydroxy-biphenyl-3-yl)-benzami...)
Show SMILES Oc1ccc(cc1NC(=O)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H15NO2/c21-18-12-11-16(14-7-3-1-4-8-14)13-17(18)20-19(22)15-9-5-2-6-10-15/h1-13,21H,(H,20,22)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC11


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50374015
PNG
(CHEMBL401750)
Show SMILES Oc1ccc(cc1NC(=O)Cc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C20H17NO2/c22-19-12-11-17(16-9-5-2-6-10-16)14-18(19)21-20(23)13-15-7-3-1-4-8-15/h1-12,14,22H,13H2,(H,21,23)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50374033
PNG
(CHEMBL272152)
Show SMILES Nc1ccc(cc1NC(=O)c1cccnc1)N1CCOCC1
Show InChI InChI=1S/C16H18N4O2/c17-14-4-3-13(20-6-8-22-9-7-20)10-15(14)19-16(21)12-2-1-5-18-11-12/h1-5,10-11H,6-9,17H2,(H,19,21)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50232053
PNG
(CHEMBL271741 | N-(4-amino-biphenyl-3-yl)-benzamide...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H16N2O/c20-17-12-11-16(14-7-3-1-4-8-14)13-18(17)21-19(22)15-9-5-2-6-10-15/h1-13H,20H2,(H,21,22)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC4


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%