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Patent code US8921424

Compile Data Set for Download or QSAR
Found 13 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 6


(Homo sapiens (Human))		BDBM141910
PNG
(US8921424, 10)
Show SMILES CCCCCNC(=O)Nc1cc(\C=C\C(=O)NO)ccc1SCCN(CC)CC
Show InChI InChI=1S/C21H34N4O3S/c1-4-7-8-13-22-21(27)23-18-16-17(10-12-20(26)24-28)9-11-19(18)29-15-14-25(5-2)6-3/h9-12,16,28H,4-8,13-15H2,1-3H3,(H,24,26)(H2,22,23,27)/b12-10+
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US Patent
n/an/a 200n/an/an/an/an/an/a



Zhejiang Hisun Pharmaceutical Co. Ltd.; Central South University

US Patent


Assay Description
The BIOMOL fluorescent-based HDAC activity assay has been applied in In vitro HDACi assay for determination of IC50 values of the compounds of this i...

US Patent US8921424 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QWP
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM141911
PNG
(US8921424, 11)
Show SMILES CCN(CC)CCSc1ccc(\C=C\C(=O)NO)cc1NS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C22H29N3O4S2/c1-4-25(5-2)14-15-30-21-12-8-18(9-13-22(26)23-27)16-20(21)24-31(28,29)19-10-6-17(3)7-11-19/h6-13,16,24,27H,4-5,14-15H2,1-3H3,(H,23,26)/b13-9+
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n/an/a 247n/an/an/an/an/an/a



Zhejiang Hisun Pharmaceutical Co. Ltd.; Central South University

US Patent


Assay Description
The BIOMOL fluorescent-based HDAC activity assay has been applied in In vitro HDACi assay for determination of IC50 values of the compounds of this i...

US Patent US8921424 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QWP
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM141906
PNG
(US8921424, 6)
Show SMILES CCN(CC)CCSc1ccc(\C=C\C(=O)NO)cc1NCc1ccccc1
Show InChI InChI=1S/C22H29N3O2S/c1-3-25(4-2)14-15-28-21-12-10-18(11-13-22(26)24-27)16-20(21)23-17-19-8-6-5-7-9-19/h5-13,16,23,27H,3-4,14-15,17H2,1-2H3,(H,24,26)/b13-11+
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n/an/a 275n/an/an/an/an/an/a



Zhejiang Hisun Pharmaceutical Co. Ltd.; Central South University

US Patent


Assay Description
The BIOMOL fluorescent-based HDAC activity assay has been applied in In vitro HDACi assay for determination of IC50 values of the compounds of this i...

US Patent US8921424 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QWP
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM141909
PNG
(US8921424, 9)
Show SMILES CCN(CC)CCSc1ccc(\C=C\C(=O)NO)cc1N
Show InChI InChI=1S/C15H23N3O2S/c1-3-18(4-2)9-10-21-14-7-5-12(11-13(14)16)6-8-15(19)17-20/h5-8,11,20H,3-4,9-10,16H2,1-2H3,(H,17,19)/b8-6+
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n/an/a 295n/an/an/an/an/an/a



Zhejiang Hisun Pharmaceutical Co. Ltd.; Central South University

US Patent


Assay Description
The BIOMOL fluorescent-based HDAC activity assay has been applied in In vitro HDACi assay for determination of IC50 values of the compounds of this i...

US Patent US8921424 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QWP
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM141912
PNG
(US8921424, 12)
Show SMILES CCN(CC)CCSc1ccc(\C=C\C(=O)NO)cc1NCCCC=C
Show InChI InChI=1S/C20H31N3O2S/c1-4-7-8-13-21-18-16-17(10-12-20(24)22-25)9-11-19(18)26-15-14-23(5-2)6-3/h4,9-12,16,21,25H,1,5-8,13-15H2,2-3H3,(H,22,24)/b12-10+
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n/an/a 310n/an/an/an/an/an/a



Zhejiang Hisun Pharmaceutical Co. Ltd.; Central South University

US Patent


Assay Description
The BIOMOL fluorescent-based HDAC activity assay has been applied in In vitro HDACi assay for determination of IC50 values of the compounds of this i...

US Patent US8921424 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QWP
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM141913
PNG
(US8921424, 13)
Show SMILES CCN(CC)CCSc1ccc(\C=C\C(=O)NO)cc1NC(=O)C(Cl)Cl
Show InChI InChI=1S/C17H23Cl2N3O3S/c1-3-22(4-2)9-10-26-14-7-5-12(6-8-15(23)21-25)11-13(14)20-17(24)16(18)19/h5-8,11,16,25H,3-4,9-10H2,1-2H3,(H,20,24)(H,21,23)/b8-6+
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n/an/a 313n/an/an/an/an/an/a



Zhejiang Hisun Pharmaceutical Co. Ltd.; Central South University

US Patent


Assay Description
The BIOMOL fluorescent-based HDAC activity assay has been applied in In vitro HDACi assay for determination of IC50 values of the compounds of this i...

US Patent US8921424 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QWP
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM141905
PNG
(US8921424, 5)
Show SMILES CCN(CC)CCSc1ccc(\C=C\C(=O)NO)cc1[N+]([O-])=O
Show InChI InChI=1S/C15H21N3O4S/c1-3-17(4-2)9-10-23-14-7-5-12(6-8-15(19)16-20)11-13(14)18(21)22/h5-8,11,20H,3-4,9-10H2,1-2H3,(H,16,19)/b8-6+
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n/an/a 313n/an/an/an/an/an/a



Zhejiang Hisun Pharmaceutical Co. Ltd.; Central South University

US Patent


Assay Description
The BIOMOL fluorescent-based HDAC activity assay has been applied in In vitro HDACi assay for determination of IC50 values of the compounds of this i...

US Patent US8921424 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QWP
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM141907
PNG
(US8921424, 7)
Show SMILES CCN(CC)CCSc1ccc(\C=C\C(=O)NO)cc1NCC=C
Show InChI InChI=1S/C18H27N3O2S/c1-4-11-19-16-14-15(8-10-18(22)20-23)7-9-17(16)24-13-12-21(5-2)6-3/h4,7-10,14,19,23H,1,5-6,11-13H2,2-3H3,(H,20,22)/b10-8+
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n/an/a 350n/an/an/an/an/an/a



Zhejiang Hisun Pharmaceutical Co. Ltd.; Central South University

US Patent


Assay Description
The BIOMOL fluorescent-based HDAC activity assay has been applied in In vitro HDACi assay for determination of IC50 values of the compounds of this i...

US Patent US8921424 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QWP
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM141904
PNG
(US8921424, 4)
Show SMILES CCN(CC)CCSc1ccc(\C=C\C(=O)NO)cc1NC(C)=O
Show InChI InChI=1S/C17H25N3O3S/c1-4-20(5-2)10-11-24-16-8-6-14(7-9-17(22)19-23)12-15(16)18-13(3)21/h6-9,12,23H,4-5,10-11H2,1-3H3,(H,18,21)(H,19,22)/b9-7+
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n/an/a 357n/an/an/an/an/an/a



Zhejiang Hisun Pharmaceutical Co. Ltd.; Central South University

US Patent


Assay Description
The BIOMOL fluorescent-based HDAC activity assay has been applied in In vitro HDACi assay for determination of IC50 values of the compounds of this i...

US Patent US8921424 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QWP
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM141902
PNG
(US8921424, 2)
Show SMILES CCCCCNc1cc(\C=C\C(=O)NO)ccc1SCCN(CC)CC
Show InChI InChI=1S/C20H33N3O2S/c1-4-7-8-13-21-18-16-17(10-12-20(24)22-25)9-11-19(18)26-15-14-23(5-2)6-3/h9-12,16,21,25H,4-8,13-15H2,1-3H3,(H,22,24)/b12-10+
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n/an/a 578n/an/an/an/an/an/a



Zhejiang Hisun Pharmaceutical Co. Ltd.; Central South University

US Patent


Assay Description
The BIOMOL fluorescent-based HDAC activity assay has been applied in In vitro HDACi assay for determination of IC50 values of the compounds of this i...

US Patent US8921424 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QWP
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM141901
PNG
(US8921424, 1)
Show SMILES CCN(CC)CCSc1ccc(\C=C\C(=O)NO)cc1NCCCc1ccccc1
Show InChI InChI=1S/C24H33N3O2S/c1-3-27(4-2)17-18-30-23-14-12-21(13-15-24(28)26-29)19-22(23)25-16-8-11-20-9-6-5-7-10-20/h5-7,9-10,12-15,19,25,29H,3-4,8,11,16-18H2,1-2H3,(H,26,28)/b15-13+
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n/an/a 627n/an/an/an/an/an/a



Zhejiang Hisun Pharmaceutical Co. Ltd.; Central South University

US Patent


Assay Description
The BIOMOL fluorescent-based HDAC activity assay has been applied in In vitro HDACi assay for determination of IC50 values of the compounds of this i...

US Patent US8921424 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QWP
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM141903
PNG
(US8921424, 3)
Show SMILES CCCNc1cc(\C=C\C(=O)NO)ccc1SCCN(CC)CC
Show InChI InChI=1S/C18H29N3O2S/c1-4-11-19-16-14-15(8-10-18(22)20-23)7-9-17(16)24-13-12-21(5-2)6-3/h7-10,14,19,23H,4-6,11-13H2,1-3H3,(H,20,22)/b10-8+
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n/an/a 653n/an/an/an/an/an/a



Zhejiang Hisun Pharmaceutical Co. Ltd.; Central South University

US Patent


Assay Description
The BIOMOL fluorescent-based HDAC activity assay has been applied in In vitro HDACi assay for determination of IC50 values of the compounds of this i...

US Patent US8921424 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QWP
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM141908
PNG
(US8921424, 8)
Show SMILES CCN(CC)CCSc1ccc(\C=C\C(=O)NO)cc1NC
Show InChI InChI=1S/C16H25N3O2S/c1-4-19(5-2)10-11-22-15-8-6-13(12-14(15)17-3)7-9-16(20)18-21/h6-9,12,17,21H,4-5,10-11H2,1-3H3,(H,18,20)/b9-7+
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n/an/a 800n/an/an/an/an/an/a



Zhejiang Hisun Pharmaceutical Co. Ltd.; Central South University

US Patent


Assay Description
The BIOMOL fluorescent-based HDAC activity assay has been applied in In vitro HDACi assay for determination of IC50 values of the compounds of this i...

US Patent US8921424 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QWP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%