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PubMed code 21875796

Compile data set for download or QSAR
Found 24 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))		BDBM50354781
PNG
(CHEMBL1834462)
Show SMILES ONC(=O)c1cnc(Nc2nnc(o2)-c2ccccc2)nc1
Show InChI InChI=1S/C13H10N6O3/c20-10(19-21)9-6-14-12(15-7-9)16-13-18-17-11(22-13)8-4-2-1-3-5-8/h1-7,21H,(H,19,20)(H,14,15,16,18)
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n/an/a 6n/an/an/an/an/an/a



Guru Ghasidas University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 by fluorescent activity assay

Bioorg Med Chem Lett 21: 5735-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.022
BindingDB Entry DOI: 10.7270/Q2028RZ0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50354789
PNG
(CHEMBL1834469)
Show SMILES ONC(=O)c1cnc(Nc2nnc(o2)-c2cccc(Cl)c2)nc1
Show InChI InChI=1S/C13H9ClN6O3/c14-9-3-1-2-7(4-9)11-18-19-13(23-11)17-12-15-5-8(6-16-12)10(21)20-22/h1-6,22H,(H,20,21)(H,15,16,17,19)
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n/an/a 6n/an/an/an/an/an/a



Guru Ghasidas University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 by fluorescent activity assay

Bioorg Med Chem Lett 21: 5735-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.022
BindingDB Entry DOI: 10.7270/Q2028RZ0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50354800
PNG
(CHEMBL1834480)
Show SMILES ONC(=O)c1cnc(Nc2nnc(s2)-c2cccc(Cl)c2)nc1
Show InChI InChI=1S/C13H9ClN6O2S/c14-9-3-1-2-7(4-9)11-18-19-13(23-11)17-12-15-5-8(6-16-12)10(21)20-22/h1-6,22H,(H,20,21)(H,15,16,17,19)
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n/an/a 7n/an/an/an/an/an/a



Guru Ghasidas University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 by fluorescent activity assay

Bioorg Med Chem Lett 21: 5735-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.022
BindingDB Entry DOI: 10.7270/Q2028RZ0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50354797
PNG
(CHEMBL1834477)
Show SMILES ONC(=O)c1cnc(Nc2nnc(s2)-c2ccc(F)cc2)nc1
Show InChI InChI=1S/C13H9FN6O2S/c14-9-3-1-7(2-4-9)11-18-19-13(23-11)17-12-15-5-8(6-16-12)10(21)20-22/h1-6,22H,(H,20,21)(H,15,16,17,19)
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n/an/a 7n/an/an/an/an/an/a



Guru Ghasidas University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 by fluorescent activity assay

Bioorg Med Chem Lett 21: 5735-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.022
BindingDB Entry DOI: 10.7270/Q2028RZ0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50354788
PNG
(CHEMBL1834468)
Show SMILES ONC(=O)c1cnc(Nc2nnc(o2)-c2ccccc2Cl)nc1
Show InChI InChI=1S/C13H9ClN6O3/c14-9-4-2-1-3-8(9)11-18-19-13(23-11)17-12-15-5-7(6-16-12)10(21)20-22/h1-6,22H,(H,20,21)(H,15,16,17,19)
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n/an/a 8n/an/an/an/an/an/a



Guru Ghasidas University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 by fluorescent activity assay

Bioorg Med Chem Lett 21: 5735-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.022
BindingDB Entry DOI: 10.7270/Q2028RZ0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50354799
PNG
(CHEMBL1834479)
Show SMILES ONC(=O)c1cnc(Nc2nnc(s2)-c2ccccc2Cl)nc1
Show InChI InChI=1S/C13H9ClN6O2S/c14-9-4-2-1-3-8(9)11-18-19-13(23-11)17-12-15-5-7(6-16-12)10(21)20-22/h1-6,22H,(H,20,21)(H,15,16,17,19)
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n/an/a 8n/an/an/an/an/an/a



Guru Ghasidas University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 by fluorescent activity assay

Bioorg Med Chem Lett 21: 5735-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.022
BindingDB Entry DOI: 10.7270/Q2028RZ0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50354792
PNG
(CHEMBL1834472)
Show SMILES ONC(=O)c1cnc(Nc2nnc(s2)-c2ccccc2)nc1
Show InChI InChI=1S/C13H10N6O2S/c20-10(19-21)9-6-14-12(15-7-9)16-13-18-17-11(22-13)8-4-2-1-3-5-8/h1-7,21H,(H,19,20)(H,14,15,16,18)
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n/an/a 8n/an/an/an/an/an/a



Guru Ghasidas University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 by fluorescent activity assay

Bioorg Med Chem Lett 21: 5735-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.022
BindingDB Entry DOI: 10.7270/Q2028RZ0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50354791
PNG
(CHEMBL1834471)
Show SMILES CN(C)c1ccc(cc1)-c1nnc(Nc2ncc(cn2)C(=O)NO)o1
Show InChI InChI=1S/C15H15N7O3/c1-22(2)11-5-3-9(4-6-11)13-19-20-15(25-13)18-14-16-7-10(8-17-14)12(23)21-24/h3-8,24H,1-2H3,(H,21,23)(H,16,17,18,20)
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n/an/a 9n/an/an/an/an/an/a



Guru Ghasidas University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 by fluorescent activity assay

Bioorg Med Chem Lett 21: 5735-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.022
BindingDB Entry DOI: 10.7270/Q2028RZ0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50354782
PNG
(CHEMBL1834461)
Show SMILES ONC(=O)c1cnc(Nc2nnc(o2)-c2ccc(Cl)cc2)nc1
Show InChI InChI=1S/C13H9ClN6O3/c14-9-3-1-7(2-4-9)11-18-19-13(23-11)17-12-15-5-8(6-16-12)10(21)20-22/h1-6,22H,(H,20,21)(H,15,16,17,19)
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n/an/a 9n/an/an/an/an/an/a



Guru Ghasidas University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 by fluorescent activity assay

Bioorg Med Chem Lett 21: 5735-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.022
BindingDB Entry DOI: 10.7270/Q2028RZ0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50354786
PNG
(CHEMBL1834466)
Show SMILES ONC(=O)c1cnc(Nc2nnc(o2)-c2ccc(F)cc2)nc1
Show InChI InChI=1S/C13H9FN6O3/c14-9-3-1-7(2-4-9)11-18-19-13(23-11)17-12-15-5-8(6-16-12)10(21)20-22/h1-6,22H,(H,20,21)(H,15,16,17,19)
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n/an/a 9n/an/an/an/an/an/a



Guru Ghasidas University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 by fluorescent activity assay

Bioorg Med Chem Lett 21: 5735-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.022
BindingDB Entry DOI: 10.7270/Q2028RZ0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50354794
PNG
(CHEMBL1834474)
Show SMILES ONC(=O)c1cnc(Nc2nnc(s2)-c2ccc(cc2)[N+]([O-])=O)nc1
Show InChI InChI=1S/C13H9N7O4S/c21-10(19-22)8-5-14-12(15-6-8)16-13-18-17-11(25-13)7-1-3-9(4-2-7)20(23)24/h1-6,22H,(H,19,21)(H,14,15,16,18)
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n/an/a 10n/an/an/an/an/an/a



Guru Ghasidas University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 by fluorescent activity assay

Bioorg Med Chem Lett 21: 5735-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.022
BindingDB Entry DOI: 10.7270/Q2028RZ0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50354783
PNG
(CHEMBL1834463)
Show SMILES ONC(=O)c1cnc(Nc2nnc(o2)-c2ccc(cc2)[N+]([O-])=O)nc1
Show InChI InChI=1S/C13H9N7O5/c21-10(19-22)8-5-14-12(15-6-8)16-13-18-17-11(25-13)7-1-3-9(4-2-7)20(23)24/h1-6,22H,(H,19,21)(H,14,15,16,18)
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n/an/a 10n/an/an/an/an/an/a



Guru Ghasidas University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 by fluorescent activity assay

Bioorg Med Chem Lett 21: 5735-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.022
BindingDB Entry DOI: 10.7270/Q2028RZ0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50354793
PNG
(CHEMBL1834473)
Show SMILES ONC(=O)c1cnc(Nc2nnc(s2)-c2ccc(Cl)cc2)nc1
Show InChI InChI=1S/C13H9ClN6O2S/c14-9-3-1-7(2-4-9)11-18-19-13(23-11)17-12-15-5-8(6-16-12)10(21)20-22/h1-6,22H,(H,20,21)(H,15,16,17,19)
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n/an/a 10n/an/an/an/an/an/a



Guru Ghasidas University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 by fluorescent activity assay

Bioorg Med Chem Lett 21: 5735-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.022
BindingDB Entry DOI: 10.7270/Q2028RZ0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50354790
PNG
(CHEMBL1834470)
Show SMILES Nc1ccc(cc1)-c1nnc(Nc2ncc(cn2)C(=O)NO)o1
Show InChI InChI=1S/C13H11N7O3/c14-9-3-1-7(2-4-9)11-18-19-13(23-11)17-12-15-5-8(6-16-12)10(21)20-22/h1-6,22H,14H2,(H,20,21)(H,15,16,17,19)
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n/an/a 11n/an/an/an/an/an/a



Guru Ghasidas University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 by fluorescent activity assay

Bioorg Med Chem Lett 21: 5735-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.022
BindingDB Entry DOI: 10.7270/Q2028RZ0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50354802
PNG
(CHEMBL1834482)
Show SMILES CN(C)c1ccc(cc1)-c1nnc(Nc2ncc(cn2)C(=O)NO)s1
Show InChI InChI=1S/C15H15N7O2S/c1-22(2)11-5-3-9(4-6-11)13-19-20-15(25-13)18-14-16-7-10(8-17-14)12(23)21-24/h3-8,24H,1-2H3,(H,21,23)(H,16,17,18,20)
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n/an/a 11n/an/an/an/an/an/a



Guru Ghasidas University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 by fluorescent activity assay

Bioorg Med Chem Lett 21: 5735-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.022
BindingDB Entry DOI: 10.7270/Q2028RZ0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50354801
PNG
(CHEMBL1834481)
Show SMILES Nc1ccc(cc1)-c1nnc(Nc2ncc(cn2)C(=O)NO)s1
Show InChI InChI=1S/C13H11N7O2S/c14-9-3-1-7(2-4-9)11-18-19-13(23-11)17-12-15-5-8(6-16-12)10(21)20-22/h1-6,22H,14H2,(H,20,21)(H,15,16,17,19)
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n/an/a 13n/an/an/an/an/an/a



Guru Ghasidas University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 by fluorescent activity assay

Bioorg Med Chem Lett 21: 5735-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.022
BindingDB Entry DOI: 10.7270/Q2028RZ0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50354784
PNG
(CHEMBL1834464)
Show SMILES Cc1ccc(cc1)-c1nnc(Nc2ncc(cn2)C(=O)NO)o1
Show InChI InChI=1S/C14H12N6O3/c1-8-2-4-9(5-3-8)12-18-19-14(23-12)17-13-15-6-10(7-16-13)11(21)20-22/h2-7,22H,1H3,(H,20,21)(H,15,16,17,19)
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n/an/a 14n/an/an/an/an/an/a



Guru Ghasidas University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 by fluorescent activity assay

Bioorg Med Chem Lett 21: 5735-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.022
BindingDB Entry DOI: 10.7270/Q2028RZ0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50354795
PNG
(CHEMBL1834475)
Show SMILES Cc1ccc(cc1)-c1nnc(Nc2ncc(cn2)C(=O)NO)s1
Show InChI InChI=1S/C14H12N6O2S/c1-8-2-4-9(5-3-8)12-18-19-14(23-12)17-13-15-6-10(7-16-13)11(21)20-22/h2-7,22H,1H3,(H,20,21)(H,15,16,17,19)
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n/an/a 15n/an/an/an/an/an/a



Guru Ghasidas University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 by fluorescent activity assay

Bioorg Med Chem Lett 21: 5735-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.022
BindingDB Entry DOI: 10.7270/Q2028RZ0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		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 16n/an/an/an/an/an/a



Guru Ghasidas University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 by fluorescent activity assay

Bioorg Med Chem Lett 21: 5735-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.022
BindingDB Entry DOI: 10.7270/Q2028RZ0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50354787
PNG
(CHEMBL1834467)
Show SMILES COc1ccc(cc1)-c1nnc(Nc2ncc(cn2)C(=O)NO)o1
Show InChI InChI=1S/C14H12N6O4/c1-23-10-4-2-8(3-5-10)12-18-19-14(24-12)17-13-15-6-9(7-16-13)11(21)20-22/h2-7,22H,1H3,(H,20,21)(H,15,16,17,19)
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n/an/a 16n/an/an/an/an/an/a



Guru Ghasidas University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 by fluorescent activity assay

Bioorg Med Chem Lett 21: 5735-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.022
BindingDB Entry DOI: 10.7270/Q2028RZ0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50354785
PNG
(CHEMBL1834465)
Show SMILES ONC(=O)c1cnc(Nc2nnc(o2)-c2ccc(O)cc2)nc1
Show InChI InChI=1S/C13H10N6O4/c20-9-3-1-7(2-4-9)11-17-18-13(23-11)16-12-14-5-8(6-15-12)10(21)19-22/h1-6,20,22H,(H,19,21)(H,14,15,16,18)
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n/an/a 17n/an/an/an/an/an/a



Guru Ghasidas University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 by fluorescent activity assay

Bioorg Med Chem Lett 21: 5735-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.022
BindingDB Entry DOI: 10.7270/Q2028RZ0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50354798
PNG
(CHEMBL1834478)
Show SMILES COc1ccc(cc1)-c1nnc(Nc2ncc(cn2)C(=O)NO)s1
Show InChI InChI=1S/C14H12N6O3S/c1-23-10-4-2-8(3-5-10)12-18-19-14(24-12)17-13-15-6-9(7-16-13)11(21)20-22/h2-7,22H,1H3,(H,20,21)(H,15,16,17,19)
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n/an/a 17n/an/an/an/an/an/a



Guru Ghasidas University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 by fluorescent activity assay

Bioorg Med Chem Lett 21: 5735-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.022
BindingDB Entry DOI: 10.7270/Q2028RZ0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50354796
PNG
(CHEMBL1834476)
Show SMILES ONC(=O)c1cnc(Nc2nnc(s2)-c2ccc(O)cc2)nc1
Show InChI InChI=1S/C13H10N6O3S/c20-9-3-1-7(2-4-9)11-17-18-13(23-11)16-12-14-5-8(6-15-12)10(21)19-22/h1-6,20,22H,(H,19,21)(H,14,15,16,18)
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n/an/a 18n/an/an/an/an/an/a



Guru Ghasidas University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 by fluorescent activity assay

Bioorg Med Chem Lett 21: 5735-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.022
BindingDB Entry DOI: 10.7270/Q2028RZ0
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 290n/an/an/an/an/an/a



Guru Ghasidas University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 by fluorescent activity assay

Bioorg Med Chem Lett 21: 5735-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.022
BindingDB Entry DOI: 10.7270/Q2028RZ0
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
* indicates data uncertainty>20%