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Found 704 hits Enz. Inhib. hit(s) with Target = 'Pyruvate dehydrogenase kinase isoform 2 (PDHK2)'   
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
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM227594
PNG
(PS10)
Show SMILES Oc1ccc(c(O)c1)S(=O)(=O)N1Cc2cc(O)cc(O)c2C1
Show InChI InChI=1S/C14H13NO6S/c16-9-1-2-14(13(19)4-9)22(20,21)15-6-8-3-10(17)5-12(18)11(8)7-15/h1-5,16-19H,6-7H2
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n/an/an/a 239n/an/an/a7.515



University of Texas Southwestern Medical Center



Assay Description
The PDK2 or Hsp90 N-terminal domain protein was dialyzed against 1 liter of thedialysis buffer containing 50 mM Tris-Cl, pH 7.5, 50 mM KCl, 1 mM MgCl...


J Biol Chem 289: 4432-43 (2014)


Article DOI: 10.1074/jbc.M113.533885
BindingDB Entry DOI: 10.7270/Q2N58K7F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM227593
PNG
(PS8)
Show SMILES Oc1ccc2CN(Cc2c1)S(=O)(=O)c1ccc(O)cc1O
Show InChI InChI=1S/C14H13NO5S/c16-11-2-1-9-7-15(8-10(9)5-11)21(19,20)14-4-3-12(17)6-13(14)18/h1-6,16-18H,7-8H2
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n/an/an/a 426n/an/an/a7.515



University of Texas Southwestern Medical Center



Assay Description
The PDK2 or Hsp90 N-terminal domain protein was dialyzed against 1 liter of thedialysis buffer containing 50 mM Tris-Cl, pH 7.5, 50 mM KCl, 1 mM MgCl...


J Biol Chem 289: 4432-43 (2014)


Article DOI: 10.1074/jbc.M113.533885
BindingDB Entry DOI: 10.7270/Q2N58K7F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM227592
PNG
(PS2)
Show SMILES Oc1ccc(c(O)c1)S(=O)(=O)N1Cc2ccccc2C1
Show InChI InChI=1S/C14H13NO4S/c16-12-5-6-14(13(17)7-12)20(18,19)15-8-10-3-1-2-4-11(10)9-15/h1-7,16-17H,8-9H2
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n/an/an/a 711n/an/an/a7.515



University of Texas Southwestern Medical Center



Assay Description
The PDK2 or Hsp90 N-terminal domain protein was dialyzed against 1 liter of thedialysis buffer containing 50 mM Tris-Cl, pH 7.5, 50 mM KCl, 1 mM MgCl...


J Biol Chem 289: 4432-43 (2014)


Article DOI: 10.1074/jbc.M113.533885
BindingDB Entry DOI: 10.7270/Q2N58K7F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM227591
PNG
(PA7)
Show SMILES Oc1ccc(C(=O)N2Cc3ccccc3C2)c(O)c1
Show InChI InChI=1S/C15H13NO3/c17-12-5-6-13(14(18)7-12)15(19)16-8-10-3-1-2-4-11(10)9-16/h1-7,17-18H,8-9H2
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n/an/an/a 1.83E+3n/an/an/a7.515



University of Texas Southwestern Medical Center



Assay Description
The PDK2 or Hsp90 N-terminal domain protein was dialyzed against 1 liter of thedialysis buffer containing 50 mM Tris-Cl, pH 7.5, 50 mM KCl, 1 mM MgCl...


J Biol Chem 289: 4432-43 (2014)


Article DOI: 10.1074/jbc.M113.533885
BindingDB Entry DOI: 10.7270/Q2N58K7F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM227590
PNG
(PA1)
Show SMILES Oc1cc(O)c(cc1Br)C(=O)N1Cc2ccccc2C1
Show InChI InChI=1S/C15H12BrNO3/c16-12-5-11(13(18)6-14(12)19)15(20)17-7-9-3-1-2-4-10(9)8-17/h1-6,18-19H,7-8H2
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n/an/an/a 3.57E+3n/an/an/a7.515



University of Texas Southwestern Medical Center



Assay Description
The PDK2 or Hsp90 N-terminal domain protein was dialyzed against 1 liter of thedialysis buffer containing 50 mM Tris-Cl, pH 7.5, 50 mM KCl, 1 mM MgCl...


J Biol Chem 289: 4432-43 (2014)


Article DOI: 10.1074/jbc.M113.533885
BindingDB Entry DOI: 10.7270/Q2N58K7F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM81912
PNG
(DC23 | Resorcinol analog, 1)
Show SMILES Oc1ccc(-c2n[nH]c(=S)n2-c2cccc3ccccc23)c(O)c1
Show InChI InChI=1S/C18H13N3O2S/c22-12-8-9-14(16(23)10-12)17-19-20-18(24)21(17)15-7-3-5-11-4-1-2-6-13(11)15/h1-10,22-23H,(H,20,24)
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n/an/an/a 6.76E+3n/an/an/a7.515



University of Texas Southwestern Medical Center



Assay Description
The PDK2 or Hsp90 N-terminal domain protein was dialyzed against 1 liter of thedialysis buffer containing 50 mM Tris-Cl, pH 7.5, 50 mM KCl, 1 mM MgCl...


J Biol Chem 289: 4432-43 (2014)


Article DOI: 10.1074/jbc.M113.533885
BindingDB Entry DOI: 10.7270/Q2N58K7F
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM227589
PNG
(Radicicol)
Show SMILES C[C@@H]1C[C@H]2O[C@@H]2\C=C/C=C/C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
Show InChI InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/b4-2+,5-3-/t9-,14-,15-/m1/s1
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n/an/an/a 1.86E+4n/an/an/a7.515



University of Texas Southwestern Medical Center



Assay Description
The PDK2 or Hsp90 N-terminal domain protein was dialyzed against 1 liter of thedialysis buffer containing 50 mM Tris-Cl, pH 7.5, 50 mM KCl, 1 mM MgCl...


J Biol Chem 289: 4432-43 (2014)


Article DOI: 10.1074/jbc.M113.533885
BindingDB Entry DOI: 10.7270/Q2N58K7F
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM137921
PNG
(US8871934, 514)
Show SMILES CC(C)NC(=O)Cn1cc(cn1)-c1cccc2c1-c1ccccc1C2(O)C(F)(F)F
Show InChI InChI=1S/C22H20F3N3O2/c1-13(2)27-19(29)12-28-11-14(10-26-28)15-7-5-9-18-20(15)16-6-3-4-8-17(16)21(18,30)22(23,24)25/h3-11,13,30H,12H2,1-2H3,(H,27,29)
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n/an/a 58n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...


US Patent US8871934 (2014)


BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM137922
PNG
(US8871934, 515 | US8871934, 534)
Show SMILES CNC(=O)Cn1cc(cn1)-c1cc(F)cc2c1-c1ccccc1C2(O)C(F)(F)F
Show InChI InChI=1S/C20H15F4N3O2/c1-25-17(28)10-27-9-11(8-26-27)14-6-12(21)7-16-18(14)13-4-2-3-5-15(13)19(16,29)20(22,23)24/h2-9,29H,10H2,1H3,(H,25,28)
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n/an/a 38n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...


US Patent US8871934 (2014)


BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM137923
PNG
(US8871934, 516)
Show SMILES OC(=O)Cn1cc(cn1)-c1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(Cl)c1
Show InChI InChI=1S/C19H12ClF3N2O3/c20-15-6-10(11-7-24-25(8-11)9-16(26)27)5-14-17(15)12-3-1-2-4-13(12)18(14,28)19(21,22)23/h1-8,28H,9H2,(H,26,27)
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n/an/a 110n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...


US Patent US8871934 (2014)


BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM137924
PNG
(US8871934, 517)
Show SMILES OC(=O)CCn1cc(cn1)-c1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(Cl)c1
Show InChI InChI=1S/C20H14ClF3N2O3/c21-16-8-11(12-9-25-26(10-12)6-5-17(27)28)7-15-18(16)13-3-1-2-4-14(13)19(15,29)20(22,23)24/h1-4,7-10,29H,5-6H2,(H,27,28)
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n/an/a 57n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...


US Patent US8871934 (2014)


BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM137925
PNG
(US8871934, 518)
Show SMILES Cn1cc(cn1)-c1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(c1)C(N)=O
Show InChI InChI=1S/C19H14F3N3O2/c1-25-9-11(8-24-25)10-6-13(17(23)26)16-12-4-2-3-5-14(12)18(27,15(16)7-10)19(20,21)22/h2-9,27H,1H3,(H2,23,26)
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n/an/a 54n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...


US Patent US8871934 (2014)


BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM137926
PNG
(US8871934, 519 | US8871934, 520)
Show SMILES Cc1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(Cl)c1
Show InChI InChI=1S/C15H10ClF3O/c1-8-6-11-13(12(16)7-8)9-4-2-3-5-10(9)14(11,20)15(17,18)19/h2-7,20H,1H3
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n/an/a 418n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...


US Patent US8871934 (2014)


BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM137926
PNG
(US8871934, 519 | US8871934, 520)
Show SMILES Cc1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(Cl)c1
Show InChI InChI=1S/C15H10ClF3O/c1-8-6-11-13(12(16)7-8)9-4-2-3-5-10(9)14(11,20)15(17,18)19/h2-7,20H,1H3
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n/an/a 3.33E+3n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...


US Patent US8871934 (2014)


BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM137928
PNG
(US8871934, 521)
Show SMILES NC(=O)CCn1cc(cn1)-c1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(Cl)c1
Show InChI InChI=1S/C20H15ClF3N3O2/c21-16-8-11(12-9-26-27(10-12)6-5-17(25)28)7-15-18(16)13-3-1-2-4-14(13)19(15,29)20(22,23)24/h1-4,7-10,29H,5-6H2,(H2,25,28)
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n/an/a 36n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...


US Patent US8871934 (2014)


BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM137929
PNG
(US8871934, 522)
Show SMILES OC1(c2ccccc2-c2c1cccc2-c1cnn(c1)C12CC3CC(CC(C3)C1)C2)C(F)(F)F
Show InChI InChI=1S/C27H25F3N2O/c28-27(29,30)26(33)22-6-2-1-4-21(22)24-20(5-3-7-23(24)26)19-14-31-32(15-19)25-11-16-8-17(12-25)10-18(9-16)13-25/h1-7,14-18,33H,8-13H2
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n/an/a 61n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...


US Patent US8871934 (2014)


BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM137930
PNG
(US8871934, 523)
Show SMILES CC(C)(C)n1cc(cn1)-c1cccc2c1-c1ccccc1C2(O)C(F)(F)F
Show InChI InChI=1S/C21H19F3N2O/c1-19(2,3)26-12-13(11-25-26)14-8-6-10-17-18(14)15-7-4-5-9-16(15)20(17,27)21(22,23)24/h4-12,27H,1-3H3
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n/an/a 48n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...


US Patent US8871934 (2014)


BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM137931
PNG
(US8871934, 524)
Show SMILES CC(C)(C)Cn1cc(cn1)-c1cccc2c1-c1ccccc1C2(O)C(F)(F)F
Show InChI InChI=1S/C22H21F3N2O/c1-20(2,3)13-27-12-14(11-26-27)15-8-6-10-18-19(15)16-7-4-5-9-17(16)21(18,28)22(23,24)25/h4-12,28H,13H2,1-3H3
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n/an/a 87n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...


US Patent US8871934 (2014)


BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM137932
PNG
(US8871934, 525 | US8871934, 526)
Show SMILES OC1(c2ccccc2-c2c1cc(F)cc2Cl)C(F)(F)F
Show InChI InChI=1S/C14H7ClF4O/c15-11-6-7(16)5-10-12(11)8-3-1-2-4-9(8)13(10,20)14(17,18)19/h1-6,20H
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n/an/a 677n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...


US Patent US8871934 (2014)


BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM137932
PNG
(US8871934, 525 | US8871934, 526)
Show SMILES OC1(c2ccccc2-c2c1cc(F)cc2Cl)C(F)(F)F
Show InChI InChI=1S/C14H7ClF4O/c15-11-6-7(16)5-10-12(11)8-3-1-2-4-9(8)13(10,20)14(17,18)19/h1-6,20H
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n/an/a 397n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...


US Patent US8871934 (2014)


BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM137934
PNG
(US8871934, 527)
Show SMILES CC(=O)NCCn1cc(cn1)-c1cccc2c1-c1ccccc1C2(O)C(F)(F)F
Show InChI InChI=1S/C21H18F3N3O2/c1-13(28)25-9-10-27-12-14(11-26-27)15-6-4-8-18-19(15)16-5-2-3-7-17(16)20(18,29)21(22,23)24/h2-8,11-12,29H,9-10H2,1H3,(H,25,28)
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n/an/a 79n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...


US Patent US8871934 (2014)


BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM137935
PNG
(US8871934, 528)
Show SMILES CC(C)n1cc(cn1)-c1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(c1)C(N)=O
Show InChI InChI=1S/C21H18F3N3O2/c1-11(2)27-10-13(9-26-27)12-7-15(19(25)28)18-14-5-3-4-6-16(14)20(29,17(18)8-12)21(22,23)24/h3-11,29H,1-2H3,(H2,25,28)
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n/an/a 49n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...


US Patent US8871934 (2014)


BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM137899
PNG
(US8871934, 492 | US8871934, 529)
Show SMILES Cc1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(c1)-c1cnn(CCO)c1
Show InChI InChI=1S/C20H17F3N2O2/c1-12-8-15(13-10-24-25(11-13)6-7-26)18-14-4-2-3-5-16(14)19(27,17(18)9-12)20(21,22)23/h2-5,8-11,26-27H,6-7H2,1H3
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n/an/a 17n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...


US Patent US8871934 (2014)


BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM137937
PNG
(US8871934, 530 | US8871934, 630)
Show SMILES CCn1cc(cn1)-c1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(c1)C(N)=O
Show InChI InChI=1S/C20H16F3N3O2/c1-2-26-10-12(9-25-26)11-7-14(18(24)27)17-13-5-3-4-6-15(13)19(28,16(17)8-11)20(21,22)23/h3-10,28H,2H2,1H3,(H2,24,27)
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n/an/a 43n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...


US Patent US8871934 (2014)


BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM137912
PNG
(US8871934, 505 | US8871934, 531)
Show SMILES OCCn1cc(cn1)-c1cc(F)cc2c1-c1ccccc1C2(O)C(F)(F)F
Show InChI InChI=1S/C19H14F4N2O2/c20-12-7-14(11-9-24-25(10-11)5-6-26)17-13-3-1-2-4-15(13)18(27,16(17)8-12)19(21,22)23/h1-4,7-10,26-27H,5-6H2
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n/an/a 20n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...


US Patent US8871934 (2014)


BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM137914
PNG
(US8871934, 507 | US8871934, 532)
Show SMILES Cc1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(c1)-c1cnn(CC(N)=O)c1
Show InChI InChI=1S/C20H16F3N3O2/c1-11-6-14(12-8-25-26(9-12)10-17(24)27)18-13-4-2-3-5-15(13)19(28,16(18)7-11)20(21,22)23/h2-9,28H,10H2,1H3,(H2,24,27)
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n/an/a 16n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...


US Patent US8871934 (2014)


BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM137919
PNG
(US8871934, 512 | US8871934, 533)
Show SMILES CNC(=O)Cn1cc(cn1)-c1cc(C)cc2c1-c1ccccc1C2(O)C(F)(F)F
Show InChI InChI=1S/C21H18F3N3O2/c1-12-7-15(13-9-26-27(10-13)11-18(28)25-2)19-14-5-3-4-6-16(14)20(29,17(19)8-12)21(22,23)24/h3-10,29H,11H2,1-2H3,(H,25,28)
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n/an/a 15n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...


US Patent US8871934 (2014)


BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM137922
PNG
(US8871934, 515 | US8871934, 534)
Show SMILES CNC(=O)Cn1cc(cn1)-c1cc(F)cc2c1-c1ccccc1C2(O)C(F)(F)F
Show InChI InChI=1S/C20H15F4N3O2/c1-25-17(28)10-27-9-11(8-26-27)14-6-12(21)7-16-18(14)13-4-2-3-5-15(13)19(16,29)20(22,23)24/h2-9,29H,10H2,1H3,(H,25,28)
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n/an/a 16n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...


US Patent US8871934 (2014)


BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM137942
PNG
(US8871934, 535)
Show SMILES CN(CCn1cc(cn1)-c1cccc2c1-c1ccccc1C2(O)C(F)(F)F)C(C)=O
Show InChI InChI=1S/C22H20F3N3O2/c1-14(29)27(2)10-11-28-13-15(12-26-28)16-7-5-9-19-20(16)17-6-3-4-8-18(17)21(19,30)22(23,24)25/h3-9,12-13,30H,10-11H2,1-2H3
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n/an/a 197n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...


US Patent US8871934 (2014)


BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM137943
PNG
(US8871934, 536)
Show SMILES NC(=O)c1cc(cc2c1-c1ccccc1C2(O)C(F)(F)F)-c1cnn(CCO)c1
Show InChI InChI=1S/C20H16F3N3O3/c21-20(22,23)19(29)15-4-2-1-3-13(15)17-14(18(24)28)7-11(8-16(17)19)12-9-25-26(10-12)5-6-27/h1-4,7-10,27,29H,5-6H2,(H2,24,28)
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n/an/a 54n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...


US Patent US8871934 (2014)


BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM137944
PNG
(US8871934, 537)
Show SMILES OC(=O)CCCn1cc(cn1)-c1cc(F)cc2c1-c1ccccc1C2(O)C(F)(F)F
Show InChI InChI=1S/C21H16F4N2O3/c22-13-8-15(12-10-26-27(11-12)7-3-6-18(28)29)19-14-4-1-2-5-16(14)20(30,17(19)9-13)21(23,24)25/h1-2,4-5,8-11,30H,3,6-7H2,(H,28,29)
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n/an/a 35n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...


US Patent US8871934 (2014)


BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM137945
PNG
(US8871934, 538)
Show SMILES Cc1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(c1)-c1cnn(CCC(O)=O)c1
Show InChI InChI=1S/C21H17F3N2O3/c1-12-8-15(13-10-25-26(11-13)7-6-18(27)28)19-14-4-2-3-5-16(14)20(29,17(19)9-12)21(22,23)24/h2-5,8-11,29H,6-7H2,1H3,(H,27,28)
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n/an/a 26n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...


US Patent US8871934 (2014)


BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM137946
PNG
(US8871934, 539 | US8871934, 799)
Show SMILES Cc1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(c1)-c1cnn(CCCC(O)=O)c1
Show InChI InChI=1S/C22H19F3N2O3/c1-13-9-16(14-11-26-27(12-14)8-4-7-19(28)29)20-15-5-2-3-6-17(15)21(30,18(20)10-13)22(23,24)25/h2-3,5-6,9-12,30H,4,7-8H2,1H3,(H,28,29)
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n/an/a 27n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...


US Patent US8871934 (2014)


BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM137947
PNG
(US8871934, 540)
Show SMILES Cn1cc(cn1)-c1cc(OCCC23CC4CC(CC(O)(C4)C2)C3)cc2c1-c1ccccc1C2(O)C(F)(F)F
Show InChI InChI=1S/C30H31F3N2O3/c1-35-16-20(15-34-35)23-9-21(38-7-6-27-11-18-8-19(12-27)14-28(36,13-18)17-27)10-25-26(23)22-4-2-3-5-24(22)29(25,37)30(31,32)33/h2-5,9-10,15-16,18-19,36-37H,6-8,11-14,17H2,1H3
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n/an/a 16n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...


US Patent US8871934 (2014)


BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM137948
PNG
(US8871934, 541)
Show SMILES NC(=O)Cn1cc(cn1)-c1cc(OCCC23CC4CC(CC(O)(C4)C2)C3)cc2c1-c1ccccc1C2(O)C(F)(F)F
Show InChI InChI=1S/C31H32F3N3O4/c32-31(33,34)30(40)24-4-2-1-3-22(24)27-23(20-14-36-37(15-20)16-26(35)38)8-21(9-25(27)30)41-6-5-28-10-18-7-19(11-28)13-29(39,12-18)17-28/h1-4,8-9,14-15,18-19,39-40H,5-7,10-13,16-17H2,(H2,35,38)
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n/an/a 15n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...


US Patent US8871934 (2014)


BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM137949
PNG
(US8871934, 542)
Show SMILES OCCn1cc(cn1)-c1cc(OCCC23CC4CC(CC(O)(C4)C2)C3)cc2c1-c1ccccc1C2(O)C(F)(F)F
Show InChI InChI=1S/C31H33F3N2O4/c32-31(33,34)30(39)25-4-2-1-3-23(25)27-24(21-16-35-36(17-21)6-7-37)10-22(11-26(27)30)40-8-5-28-12-19-9-20(13-28)15-29(38,14-19)18-28/h1-4,10-11,16-17,19-20,37-39H,5-9,12-15,18H2
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n/an/a 15n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...


US Patent US8871934 (2014)


BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM137950
PNG
(US8871934, 543)
Show SMILES OC(=O)CCn1cc(cn1)-c1cc(F)cc2c1-c1ccccc1C2(O)C(F)(F)F
Show InChI InChI=1S/C20H14F4N2O3/c21-12-7-14(11-9-25-26(10-11)6-5-17(27)28)18-13-3-1-2-4-15(13)19(29,16(18)8-12)20(22,23)24/h1-4,7-10,29H,5-6H2,(H,27,28)
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n/an/a 36n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...


US Patent US8871934 (2014)


BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM137951
PNG
(US8871934, 544)
Show SMILES OC1(c2ccccc2-c2c1cc(F)cc2-c1cnn(CC2(O)CCCCC2)c1)C(F)(F)F
Show InChI InChI=1S/C24H22F4N2O2/c25-16-10-18(15-12-29-30(13-15)14-22(31)8-4-1-5-9-22)21-17-6-2-3-7-19(17)23(32,20(21)11-16)24(26,27)28/h2-3,6-7,10-13,31-32H,1,4-5,8-9,14H2
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n/an/a 22n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...


US Patent US8871934 (2014)


BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM137952
PNG
(US8871934, 545)
Show SMILES OCC1(CCCCC1)n1cc(cn1)-c1cc(F)cc2c1-c1ccccc1C2(O)C(F)(F)F
Show InChI InChI=1S/C24H22F4N2O2/c25-16-10-18(15-12-29-30(13-15)22(14-31)8-4-1-5-9-22)21-17-6-2-3-7-19(17)23(32,20(21)11-16)24(26,27)28/h2-3,6-7,10-13,31-32H,1,4-5,8-9,14H2
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n/an/a 17n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...


US Patent US8871934 (2014)


BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM137953
PNG
(US8871934, 546)
Show SMILES Cc1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(c1)-c1cnn(c1)C1(CO)CCCC1
Show InChI InChI=1S/C24H23F3N2O2/c1-15-10-18(16-12-28-29(13-16)22(14-30)8-4-5-9-22)21-17-6-2-3-7-19(17)23(31,20(21)11-15)24(25,26)27/h2-3,6-7,10-13,30-31H,4-5,8-9,14H2,1H3
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n/an/a 15n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...


US Patent US8871934 (2014)


BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM137954
PNG
(US8871934, 547)
Show SMILES OC1(c2ccccc2-c2c1cccc2-c1cnn(CC23CC4CC(CC(O)(C4)C2)C3)c1)C(F)(F)F
Show InChI InChI=1S/C28H27F3N2O2/c29-28(30,31)27(35)22-6-2-1-4-21(22)24-20(5-3-7-23(24)27)19-13-32-33(14-19)16-25-9-17-8-18(10-25)12-26(34,11-17)15-25/h1-7,13-14,17-18,34-35H,8-12,15-16H2
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n/an/a 62n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...


US Patent US8871934 (2014)


BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM137955
PNG
(US8871934, 548)
Show SMILES OCC1(CCCC1)n1cc(cn1)-c1cc(F)cc2c1-c1ccccc1C2(O)C(F)(F)F
Show InChI InChI=1S/C23H20F4N2O2/c24-15-9-17(14-11-28-29(12-14)21(13-30)7-3-4-8-21)20-16-5-1-2-6-18(16)22(31,19(20)10-15)23(25,26)27/h1-2,5-6,9-12,30-31H,3-4,7-8,13H2
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n/an/a 16n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...


US Patent US8871934 (2014)


BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM137956
PNG
(US8871934, 549)
Show SMILES OC(=O)C1(CCCC1)n1cc(cn1)-c1cc(F)cc2c1-c1ccccc1C2(O)C(F)(F)F
Show InChI InChI=1S/C23H18F4N2O3/c24-14-9-16(13-11-28-29(12-13)21(20(30)31)7-3-4-8-21)19-15-5-1-2-6-17(15)22(32,18(19)10-14)23(25,26)27/h1-2,5-6,9-12,32H,3-4,7-8H2,(H,30,31)
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n/an/a 27n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...


US Patent US8871934 (2014)


BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM137957
PNG
(US8871934, 550)
Show SMILES Cc1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(c1)-c1cnn(CC(O)=O)c1
Show InChI InChI=1S/C20H15F3N2O3/c1-11-6-14(12-8-24-25(9-12)10-17(26)27)18-13-4-2-3-5-15(13)19(28,16(18)7-11)20(21,22)23/h2-9,28H,10H2,1H3,(H,26,27)
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n/an/a 69n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...


US Patent US8871934 (2014)


BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM137958
PNG
(US8871934, 551)
Show SMILES OC(=O)Cn1cc(cn1)-c1cc(F)cc2c1-c1ccccc1C2(O)C(F)(F)F
Show InChI InChI=1S/C19H12F4N2O3/c20-11-5-13(10-7-24-25(8-10)9-16(26)27)17-12-3-1-2-4-14(12)18(28,15(17)6-11)19(21,22)23/h1-8,28H,9H2,(H,26,27)
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n/an/a 109n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...


US Patent US8871934 (2014)


BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM137959
PNG
(US8871934, 552)
Show SMILES Cn1cc(cn1)-c1cc(OCCCCC(O)=O)cc2c1-c1ccccc1C2(O)C(F)(F)F
Show InChI InChI=1S/C23H21F3N2O4/c1-28-13-14(12-27-28)17-10-15(32-9-5-4-8-20(29)30)11-19-21(17)16-6-2-3-7-18(16)22(19,31)23(24,25)26/h2-3,6-7,10-13,31H,4-5,8-9H2,1H3,(H,29,30)
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n/an/a 17n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...


US Patent US8871934 (2014)


BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM137960
PNG
(US8871934, 553)
Show SMILES CC(C)n1cc(cn1)-c1cc(OCCCC(O)=O)cc2c1-c1ccccc1C2(O)C(F)(F)F
Show InChI InChI=1S/C24H23F3N2O4/c1-14(2)29-13-15(12-28-29)18-10-16(33-9-5-8-21(30)31)11-20-22(18)17-6-3-4-7-19(17)23(20,32)24(25,26)27/h3-4,6-7,10-14,32H,5,8-9H2,1-2H3,(H,30,31)
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n/an/a 18n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...


US Patent US8871934 (2014)


BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM137961
PNG
(US8871934, 554)
Show SMILES CCn1cc(cn1)-c1cc(OCCCC(O)=O)cc2c1-c1ccccc1C2(O)C(F)(F)F
Show InChI InChI=1S/C23H21F3N2O4/c1-2-28-13-14(12-27-28)17-10-15(32-9-5-8-20(29)30)11-19-21(17)16-6-3-4-7-18(16)22(19,31)23(24,25)26/h3-4,6-7,10-13,31H,2,5,8-9H2,1H3,(H,29,30)
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n/an/a 20n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...


US Patent US8871934 (2014)


BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM137962
PNG
(US8871934, 555)
Show SMILES Cc1nn(C)c(C)c1-c1ccc2-c3ccccc3C(O)(c2c1)C(F)(F)F
Show InChI InChI=1S/C20H17F3N2O/c1-11-18(12(2)25(3)24-11)13-8-9-15-14-6-4-5-7-16(14)19(26,17(15)10-13)20(21,22)23/h4-10,26H,1-3H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...


US Patent US8871934 (2014)


BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM137963
PNG
(US8871934, 556)
Show SMILES OCc1cc(cc2c1-c1ccccc1C2(O)C(F)(F)F)C(=O)N1CCC1
Show InChI InChI=1S/C19H16F3NO3/c20-19(21,22)18(26)14-5-2-1-4-13(14)16-12(10-24)8-11(9-15(16)18)17(25)23-6-3-7-23/h1-2,4-5,8-9,24,26H,3,6-7,10H2
PDB

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UniProtKB/SwissProt

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n/an/a 53n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...


US Patent US8871934 (2014)


BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
More data for this
Ligand-Target Pair
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