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PubMed code 24900884

Compile data set for download or QSAR
Found 14 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))		BDBM50020163
PNG
(CHEMBL3288489)
Show SMILES Fc1ccc(cc1)-c1csc(NC(=O)CCCCCCS)n1
Show InChI InChI=1S/C16H19FN2OS2/c17-13-8-6-12(7-9-13)14-11-22-16(18-14)19-15(20)5-3-1-2-4-10-21/h6-9,11,21H,1-5,10H2,(H,18,19,20)
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n/an/a 36n/an/an/an/an/an/a



Nagoya University

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 by HDAC-Glo assay

ACS Med Chem Lett 5: 582-6 (2014)


Article DOI: 10.1021/ml500024s
BindingDB Entry DOI: 10.7270/Q2Z3217N
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))		BDBM50020164
PNG
(CHEMBL3288475)
Show SMILES Cc1ccc(cc1)-c1csc(NC(=O)CCCCCCS)n1
Show InChI InChI=1S/C17H22N2OS2/c1-13-7-9-14(10-8-13)15-12-22-17(18-15)19-16(20)6-4-2-3-5-11-21/h7-10,12,21H,2-6,11H2,1H3,(H,18,19,20)
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n/an/a 42n/an/an/an/an/an/a



Nagoya University

Curated by ChEMBL


Assay Description
Inhibition of human HDAC9 by HDAC-Glo assay

ACS Med Chem Lett 5: 582-6 (2014)


Article DOI: 10.1021/ml500024s
BindingDB Entry DOI: 10.7270/Q2Z3217N
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50020161
PNG
(CHEMBL3288484)
Show SMILES Fc1cccc(c1)-c1csc(NC(=O)CCCCCCS)n1
Show InChI InChI=1S/C16H19FN2OS2/c17-13-7-5-6-12(10-13)14-11-22-16(18-14)19-15(20)8-3-1-2-4-9-21/h5-7,10-11,21H,1-4,8-9H2,(H,18,19,20)
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n/an/a 49n/an/an/an/an/an/a



Nagoya University

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 by HDAC-Glo assay

ACS Med Chem Lett 5: 582-6 (2014)


Article DOI: 10.1021/ml500024s
BindingDB Entry DOI: 10.7270/Q2Z3217N
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50020162
PNG
(CHEMBL3288488)
Show SMILES Cc1ccc(cc1F)-c1csc(NC(=O)CCCCCCS)n1
Show InChI InChI=1S/C17H21FN2OS2/c1-12-7-8-13(10-14(12)18)15-11-23-17(19-15)20-16(21)6-4-2-3-5-9-22/h7-8,10-11,22H,2-6,9H2,1H3,(H,19,20,21)
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n/an/a 50n/an/an/an/an/an/a



Nagoya University

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 by HDAC-Glo assay

ACS Med Chem Lett 5: 582-6 (2014)


Article DOI: 10.1021/ml500024s
BindingDB Entry DOI: 10.7270/Q2Z3217N
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50020164
PNG
(CHEMBL3288475)
Show SMILES Cc1ccc(cc1)-c1csc(NC(=O)CCCCCCS)n1
Show InChI InChI=1S/C17H22N2OS2/c1-13-7-9-14(10-8-13)15-12-22-17(18-15)19-16(20)6-4-2-3-5-11-21/h7-10,12,21H,2-6,11H2,1H3,(H,18,19,20)
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n/an/a 57n/an/an/an/an/an/a



Nagoya University

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 by HDAC-Glo assay

ACS Med Chem Lett 5: 582-6 (2014)


Article DOI: 10.1021/ml500024s
BindingDB Entry DOI: 10.7270/Q2Z3217N
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))		BDBM50020163
PNG
(CHEMBL3288489)
Show SMILES Fc1ccc(cc1)-c1csc(NC(=O)CCCCCCS)n1
Show InChI InChI=1S/C16H19FN2OS2/c17-13-8-6-12(7-9-13)14-11-22-16(18-14)19-15(20)5-3-1-2-4-10-21/h6-9,11,21H,1-5,10H2,(H,18,19,20)
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n/an/a 57n/an/an/an/an/an/a



Nagoya University

Curated by ChEMBL


Assay Description
Inhibition of human HDAC9 by HDAC-Glo assay

ACS Med Chem Lett 5: 582-6 (2014)


Article DOI: 10.1021/ml500024s
BindingDB Entry DOI: 10.7270/Q2Z3217N
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))		BDBM50020162
PNG
(CHEMBL3288488)
Show SMILES Cc1ccc(cc1F)-c1csc(NC(=O)CCCCCCS)n1
Show InChI InChI=1S/C17H21FN2OS2/c1-12-7-8-13(10-14(12)18)15-11-23-17(19-15)20-16(21)6-4-2-3-5-9-22/h7-8,10-11,22H,2-6,9H2,1H3,(H,19,20,21)
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n/an/a 62n/an/an/an/an/an/a



Nagoya University

Curated by ChEMBL


Assay Description
Inhibition of human HDAC9 by HDAC-Glo assay

ACS Med Chem Lett 5: 582-6 (2014)


Article DOI: 10.1021/ml500024s
BindingDB Entry DOI: 10.7270/Q2Z3217N
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))		BDBM50020161
PNG
(CHEMBL3288484)
Show SMILES Fc1cccc(c1)-c1csc(NC(=O)CCCCCCS)n1
Show InChI InChI=1S/C16H19FN2OS2/c17-13-7-5-6-12(10-13)14-11-22-16(18-14)19-15(20)8-3-1-2-4-9-21/h5-7,10-11,21H,1-4,8-9H2,(H,18,19,20)
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n/an/a 78n/an/an/an/an/an/a



Nagoya University

Curated by ChEMBL


Assay Description
Inhibition of human HDAC9 by HDAC-Glo assay

ACS Med Chem Lett 5: 582-6 (2014)


Article DOI: 10.1021/ml500024s
BindingDB Entry DOI: 10.7270/Q2Z3217N
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))		BDBM19131
PNG
(CHEMBL419758 | JMC505425 Compound 7 | N-(4-phenyl-...)
Show SMILES SCCCCCCC(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C16H20N2OS2/c19-15(10-6-1-2-7-11-20)18-16-17-14(12-21-16)13-8-4-3-5-9-13/h3-5,8-9,12,20H,1-2,6-7,10-11H2,(H,17,18,19)
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n/an/a 82n/an/an/an/an/an/a



Nagoya University

Curated by ChEMBL


Assay Description
Inhibition of human HDAC9 by HDAC-Glo assay

ACS Med Chem Lett 5: 582-6 (2014)


Article DOI: 10.1021/ml500024s
BindingDB Entry DOI: 10.7270/Q2Z3217N
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM19131
PNG
(CHEMBL419758 | JMC505425 Compound 7 | N-(4-phenyl-...)
Show SMILES SCCCCCCC(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C16H20N2OS2/c19-15(10-6-1-2-7-11-20)18-16-17-14(12-21-16)13-8-4-3-5-9-13/h3-5,8-9,12,20H,1-2,6-7,10-11H2,(H,17,18,19)
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n/an/a 96n/an/an/an/an/an/a



Nagoya University

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 by HDAC-Glo assay

ACS Med Chem Lett 5: 582-6 (2014)


Article DOI: 10.1021/ml500024s
BindingDB Entry DOI: 10.7270/Q2Z3217N
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50020161
PNG
(CHEMBL3288484)
Show SMILES Fc1cccc(c1)-c1csc(NC(=O)CCCCCCS)n1
Show InChI InChI=1S/C16H19FN2OS2/c17-13-7-5-6-12(10-13)14-11-22-16(18-14)19-15(20)8-3-1-2-4-9-21/h5-7,10-11,21H,1-4,8-9H2,(H,18,19,20)
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n/an/a 150n/an/an/an/an/an/a



Nagoya University

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 by HDAC-Glo assay

ACS Med Chem Lett 5: 582-6 (2014)


Article DOI: 10.1021/ml500024s
BindingDB Entry DOI: 10.7270/Q2Z3217N
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM19131
PNG
(CHEMBL419758 | JMC505425 Compound 7 | N-(4-phenyl-...)
Show SMILES SCCCCCCC(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C16H20N2OS2/c19-15(10-6-1-2-7-11-20)18-16-17-14(12-21-16)13-8-4-3-5-9-13/h3-5,8-9,12,20H,1-2,6-7,10-11H2,(H,17,18,19)
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n/an/a 230n/an/an/an/an/an/a



Nagoya University

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 by HDAC-Glo assay

ACS Med Chem Lett 5: 582-6 (2014)


Article DOI: 10.1021/ml500024s
BindingDB Entry DOI: 10.7270/Q2Z3217N
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50020163
PNG
(CHEMBL3288489)
Show SMILES Fc1ccc(cc1)-c1csc(NC(=O)CCCCCCS)n1
Show InChI InChI=1S/C16H19FN2OS2/c17-13-8-6-12(7-9-13)14-11-22-16(18-14)19-15(20)5-3-1-2-4-10-21/h6-9,11,21H,1-5,10H2,(H,18,19,20)
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n/an/a 550n/an/an/an/an/an/a



Nagoya University

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 by HDAC-Glo assay

ACS Med Chem Lett 5: 582-6 (2014)


Article DOI: 10.1021/ml500024s
BindingDB Entry DOI: 10.7270/Q2Z3217N
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50020162
PNG
(CHEMBL3288488)
Show SMILES Cc1ccc(cc1F)-c1csc(NC(=O)CCCCCCS)n1
Show InChI InChI=1S/C17H21FN2OS2/c1-12-7-8-13(10-14(12)18)15-11-23-17(19-15)20-16(21)6-4-2-3-5-9-22/h7-8,10-11,22H,2-6,9H2,1H3,(H,19,20,21)
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n/an/a 6.10E+3n/an/an/an/an/an/a



Nagoya University

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 by HDAC-Glo assay

ACS Med Chem Lett 5: 582-6 (2014)


Article DOI: 10.1021/ml500024s
BindingDB Entry DOI: 10.7270/Q2Z3217N
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%