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Compile Data Set for Download or QSAR

Found 704 hits Enz. Inhib. hit(s) with Target = 'Pyruvate dehydrogenase kinase isoform 2 (PDHK2)' AND taxid = 9606   
Target
(Institution)
LigandTarget
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))
BDBM160544
PNG
(US9040717, Compound (3))
Show SMILES CC(C)(O)CCCOc1cc2c(-c3ccccc3[C@]2(O)C(F)(F)F)c(c1)-c1cnn(c1)C(C)(C)C(N)=O
Show InChI InChI=1S/C27H30F3N3O4/c1-24(2,35)10-7-11-37-17-12-19(16-14-32-33(15-16)25(3,4)23(31)34)22-18-8-5-6-9-20(18)26(36,21(22)13-17)27(28,29)30/h5-6,8-9,12-15,35-36H,7,10-11H2,1-4H3,(H2,31,34)/t26-/m1/s1
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US Patent
n/an/a 4.20n/an/an/an/an/an/a



JAPAN TOBACCO INC.

US Patent


Assay Description
For expression of hPDHK2 activity, Escherichia coli strain BL21(DE3) cells (Novagen) were transformed with the pET17b vector containing modified hPDH...


US Patent US9040717 (2015)

More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM160542
PNG
(US9040717, Compound (2) | US9040717, Compound (2h))
Show SMILES CC(C)(O)CCOc1cc2c(-c3ccccc3[C@]2(O)C(F)(F)F)c(c1)-c1cnn(c1)C(C)(C)C(N)=O
Show InChI InChI=1S/C26H28F3N3O4/c1-23(2,34)9-10-36-16-11-18(15-13-31-32(14-15)24(3,4)22(30)33)21-17-7-5-6-8-19(17)25(35,20(21)12-16)26(27,28)29/h5-8,11-14,34-35H,9-10H2,1-4H3,(H2,30,33)/t25-/m1/s1
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n/an/a 4.60n/an/an/an/an/an/a



JAPAN TOBACCO INC.

US Patent


Assay Description
For expression of hPDHK2 activity, Escherichia coli strain BL21(DE3) cells (Novagen) were transformed with the pET17b vector containing modified hPDH...


US Patent US9040717 (2015)

More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM160542
PNG
(US9040717, Compound (2) | US9040717, Compound (2h))
Show SMILES CC(C)(O)CCOc1cc2c(-c3ccccc3[C@]2(O)C(F)(F)F)c(c1)-c1cnn(c1)C(C)(C)C(N)=O
Show InChI InChI=1S/C26H28F3N3O4/c1-23(2,34)9-10-36-16-11-18(15-13-31-32(14-15)24(3,4)22(30)33)21-17-7-5-6-8-19(17)25(35,20(21)12-16)26(27,28)29/h5-8,11-14,34-35H,9-10H2,1-4H3,(H2,30,33)/t25-/m1/s1
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n/an/a 4.90n/an/an/an/an/an/a



JAPAN TOBACCO INC.

US Patent


Assay Description
For expression of hPDHK2 activity, Escherichia coli strain BL21(DE3) cells (Novagen) were transformed with the pET17b vector containing modified hPDH...


US Patent US9040717 (2015)

More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM160541
PNG
(US9040717, Compound (D))
Show SMILES CC(C)(C(N)=O)n1cc(cn1)-c1cc(F)cc2c1-c1ccccc1[C@]2(O)C(F)(F)F
Show InChI InChI=1/C21H17F4N3O2/c1-19(2,18(26)29)28-10-11(9-27-28)14-7-12(22)8-16-17(14)13-5-3-4-6-15(13)20(16,30)21(23,24)25/h3-10,30H,1-2H3,(H2,26,29)/t20-/s2
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n/an/a 5.10n/an/an/an/an/an/a



JAPAN TOBACCO INC.

US Patent


Assay Description
For expression of hPDHK2 activity, Escherichia coli strain BL21(DE3) cells (Novagen) were transformed with the pET17b vector containing modified hPDH...


US Patent US9040717 (2015)

More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM160538
PNG
(US9040717, Compound (A))
Show SMILES NC(=O)Cn1cc(cn1)-c1cc(OCCC23CC4CC(CC(O)(C4)C2)C3)cc2c1-c1ccccc1[C@]2(O)C(F)(F)F
Show InChI InChI=1/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)/t18?,19?,28?,29?,30-/s2
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n/an/a 5.10n/an/an/an/an/an/a



JAPAN TOBACCO INC.

US Patent


Assay Description
For expression of hPDHK2 activity, Escherichia coli strain BL21(DE3) cells (Novagen) were transformed with the pET17b vector containing modified hPDH...


US Patent US9040717 (2015)

More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM160540
PNG
(US9040717, Compound (C))
Show SMILES CC(C)(O)COc1cc2c(-c3ccccc3[C@]2(O)C(F)(F)F)c(c1)-c1cnn(CCO)c1
Show InChI InChI=1/C23H23F3N2O4/c1-21(2,30)13-32-15-9-17(14-11-27-28(12-14)7-8-29)20-16-5-3-4-6-18(16)22(31,19(20)10-15)23(24,25)26/h3-6,9-12,29-31H,7-8,13H2,1-2H3/t22-/s2
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n/an/a 6.70n/an/an/an/an/an/a



JAPAN TOBACCO INC.

US Patent


Assay Description
For expression of hPDHK2 activity, Escherichia coli strain BL21(DE3) cells (Novagen) were transformed with the pET17b vector containing modified hPDH...


US Patent US9040717 (2015)

More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM160539
PNG
(US9040717, Compound (B))
Show SMILES Cn1cc(cn1)-c1cc(OCC(C)(C)O)cc2c1-c1ccccc1[C@]2(O)C(F)(F)F
Show InChI InChI=1/C22H21F3N2O3/c1-20(2,28)12-30-14-8-16(13-10-26-27(3)11-13)19-15-6-4-5-7-17(15)21(29,18(19)9-14)22(23,24)25/h4-11,28-29H,12H2,1-3H3/t21-/s2
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n/an/a 7.40n/an/an/an/an/an/a



JAPAN TOBACCO INC.

US Patent


Assay Description
For expression of hPDHK2 activity, Escherichia coli strain BL21(DE3) cells (Novagen) were transformed with the pET17b vector containing modified hPDH...


US Patent US9040717 (2015)

More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM138031
PNG
(US8871934, 624)
Show SMILES OCCCCOc1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(c1)-c1cnn(CCO)c1
Show InChI InChI=1/C23H23F3N2O4/c24-23(25,26)22(31)19-6-2-1-5-17(19)21-18(15-13-27-28(14-15)7-9-30)11-16(12-20(21)22)32-10-4-3-8-29/h1-2,5-6,11-14,29-31H,3-4,7-10H2
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n/an/a 14n/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)

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=1/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)

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=1/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)

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=1/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
PDB

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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)

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=1/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)

More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM138071
PNG
(US8871934, 664)
Show SMILES CC(C)=Cc1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(c1)-c1cnn(c1)C(CO)CO
Show InChI InChI=1/C24H23F3N2O3/c1-14(2)7-15-8-19(16-10-28-29(11-16)17(12-30)13-31)22-18-5-3-4-6-20(18)23(32,21(22)9-15)24(25,26)27/h3-11,17,30-32H,12-13H2,1-2H3
PDB

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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)

More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM138069
PNG
(US8871934, 662 | US8871934, 667)
Show SMILES NC(=O)c1cc(cc2c1-c1ccccc1C2(O)C(F)(F)F)-c1cnn(CC2CCCCC2)c1
Show InChI InChI=1/C25H24F3N3O2/c26-25(27,28)24(33)20-9-5-4-8-18(20)22-19(23(29)32)10-16(11-21(22)24)17-12-30-31(14-17)13-15-6-2-1-3-7-15/h4-5,8-12,14-15,33H,1-3,6-7,13H2,(H2,29,32)
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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)

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=1/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)

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=1/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)

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=1/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)

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=1/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)

More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM138053
PNG
(US8871934, 646 | US8871934, 659)
Show SMILES CC(C)(C)Cn1cc(cn1)-c1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(c1)C(N)=O
Show InChI InChI=1/C23H22F3N3O2/c1-21(2,3)12-29-11-14(10-28-29)13-8-16(20(27)30)19-15-6-4-5-7-17(15)22(31,18(19)9-13)23(24,25)26/h4-11,31H,12H2,1-3H3,(H2,27,30)
PDB

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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)

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=1/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)

More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM137693
PNG
(US8871934, 286)
Show SMILES Cn1cc(cn1)-c1cc(Cl)cc2c1-c1ccccc1C2(O)C(F)(F)F
Show InChI InChI=1/C18H12ClF3N2O/c1-24-9-10(8-23-24)13-6-11(19)7-15-16(13)12-4-2-3-5-14(12)17(15,25)18(20,21)22/h2-9,25H,1H3
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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)

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=1/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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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)

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=1/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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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)

More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM138057
PNG
(US8871934, 650 | US8871934, 660)
Show SMILES CC(C)(C)Cn1cc(cn1)-c1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(CO)c1
Show InChI InChI=1/C23H23F3N2O2/c1-21(2,3)13-28-11-16(10-27-28)14-8-15(12-29)20-17-6-4-5-7-18(17)22(30,19(20)9-14)23(24,25)26/h4-11,29-30H,12-13H2,1-3H3
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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)

More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM138075
PNG
(US8871934, 668)
Show SMILES OCc1cc(cc2c1-c1ccccc1C2(O)C(F)(F)F)-c1cnn(CC2CCCCC2)c1
Show InChI InChI=1/C25H25F3N2O2/c26-25(27,28)24(32)21-9-5-4-8-20(21)23-18(15-31)10-17(11-22(23)24)19-12-29-30(14-19)13-16-6-2-1-3-7-16/h4-5,8-12,14,16,31-32H,1-3,6-7,13,15H2
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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)

More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM138073
PNG
(US8871934, 666 | US8871934, 669)
Show SMILES CC(C)(C)CCc1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(c1)-c1cnn(c1)C(CO)CO
Show InChI InChI=1/C26H29F3N2O3/c1-24(2,3)9-8-16-10-20(17-12-30-31(13-17)18(14-32)15-33)23-19-6-4-5-7-21(19)25(34,22(23)11-16)26(27,28)29/h4-7,10-13,18,32-34H,8-9,14-15H2,1-3H3
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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)

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=1/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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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)

More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM137972
PNG
(US8871934, 565)
Show SMILES OC[C@@H](O)Cn1cc(cn1)-c1cc(F)cc2c1-c1ccccc1C2(O)C(F)(F)F
Show InChI InChI=1/C20H16F4N2O3/c21-12-5-15(11-7-25-26(8-11)9-13(28)10-27)18-14-3-1-2-4-16(14)19(29,17(18)6-12)20(22,23)24/h1-8,13,27-29H,9-10H2/t13-,19?/s2
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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)

More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM137980
PNG
(US8871934, 573)
Show SMILES Cn1cc(cn1)-c1cc(OCCCc2nnn[nH]2)cc2c1-c1ccccc1C2(O)C(F)(F)F
Show InChI InChI=1/C22H19F3N6O2/c1-31-12-13(11-26-31)16-9-14(33-8-4-7-19-27-29-30-28-19)10-18-20(16)15-5-2-3-6-17(15)21(18,32)22(23,24)25/h2-3,5-6,9-12,32H,4,7-8H2,1H3,(H,27,28,29,30)
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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)

More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM138070
PNG
(US8871934, 663)
Show SMILES Cc1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(c1)-c1cnn(CC(CO)CO)c1
Show InChI InChI=1/C22H21F3N2O3/c1-13-6-17(15-8-26-27(10-15)9-14(11-28)12-29)20-16-4-2-3-5-18(16)21(30,19(20)7-13)22(23,24)25/h2-8,10,14,28-30H,9,11-12H2,1H3
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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)

More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM137874
PNG
(US8871934, 467)
Show SMILES Cn1cc(cn1)-c1cc(OCC(N)=O)cc2c1-c1ccccc1C2(O)C(F)(F)F
Show InChI InChI=1/C20H16F3N3O3/c1-26-9-11(8-25-26)14-6-12(29-10-17(24)27)7-16-18(14)13-4-2-3-5-15(13)19(16,28)20(21,22)23/h2-9,28H,10H2,1H3,(H2,24,27)
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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)

More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM137884
PNG
(US8871934, 477)
Show SMILES NC(=O)COc1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(c1)-c1cnn(CCO)c1
Show InChI InChI=1/C21H18F3N3O4/c22-21(23,24)20(30)16-4-2-1-3-14(16)19-15(12-9-26-27(10-12)5-6-28)7-13(8-17(19)20)31-11-18(25)29/h1-4,7-10,28,30H,5-6,11H2,(H2,25,29)
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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)

More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM137856
PNG
(US8871934, 449 | US8871934, 504)
Show SMILES Cn1cc(cn1)-c1cc(OCCCC(O)=O)cc2c1-c1ccccc1C2(O)C(F)(F)F
Show InChI InChI=1/C22H19F3N2O4/c1-27-12-13(11-26-27)16-9-14(31-8-4-7-19(28)29)10-18-20(16)15-5-2-3-6-17(15)21(18,30)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 19n/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)

More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM137986
PNG
(US8871934, 579)
Show SMILES Cn1cc(cn1)-c1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(c1)-c1cnn(C)c1
Show InChI InChI=1/C22H17F3N4O/c1-28-11-14(9-26-28)13-7-17(15-10-27-29(2)12-15)20-16-5-3-4-6-18(16)21(30,19(20)8-13)22(23,24)25/h3-12,30H,1-2H3
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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)

More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM137988
PNG
(US8871934, 581)
Show SMILES CCOc1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(c1)-c1cnn(CCC(O)=O)c1
Show InChI InChI=1/C22H19F3N2O4/c1-2-31-14-9-16(13-11-26-27(12-13)8-7-19(28)29)20-15-5-3-4-6-17(15)21(30,18(20)10-14)22(23,24)25/h3-6,9-12,30H,2,7-8H2,1H3,(H,28,29)
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n/an/a 19n/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)

More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM137836
PNG
(US8871934, 429)
Show SMILES CN(C)C(=O)CCCOc1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(c1)-c1cncnc1
Show InChI InChI=1/C24H22F3N3O3/c1-30(2)21(31)8-5-9-33-16-10-18(15-12-28-14-29-13-15)22-17-6-3-4-7-19(17)23(32,20(22)11-16)24(25,26)27/h3-4,6-7,10-14,32H,5,8-9H2,1-2H3
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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)

More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM138012
PNG
(US8871934, 605)
Show SMILES Cc1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(c1)-c1cnn(c1)C(CO)CO
Show InChI InChI=1/C21H19F3N2O3/c1-12-6-16(13-8-25-26(9-13)14(10-27)11-28)19-15-4-2-3-5-17(15)20(29,18(19)7-12)21(22,23)24/h2-9,14,27-29H,10-11H2,1H3
PDB

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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)

More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM137846
PNG
(US8871934, 439 | US8871934, 474)
Show SMILES Cn1cc(cn1)-c1cc(OCC(=O)N2CC(CO)C2)cc2c1-c1ccccc1C2(O)C(F)(F)F
Show InChI InChI=1/C24H22F3N3O4/c1-29-11-15(8-28-29)18-6-16(34-13-21(32)30-9-14(10-30)12-31)7-20-22(18)17-4-2-3-5-19(17)23(20,33)24(25,26)27/h2-8,11,14,31,33H,9-10,12-13H2,1H3
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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)

More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM138114
PNG
(US8871934, 707)
Show SMILES Cc1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(c1)-c1cnn(c1)C(CO)(CO)CO
Show InChI InChI=1/C22H21F3N2O4/c1-13-6-16(14-8-26-27(9-14)20(10-28,11-29)12-30)19-15-4-2-3-5-17(15)21(31,18(19)7-13)22(23,24)25/h2-9,28-31H,10-12H2,1H3
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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)

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=1/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 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)

More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM137692
PNG
(US8871934, 285)
Show SMILES CC(C)(C)C(=O)N1CCN(CC1)c1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(c1)-c1cccnc1
Show InChI InChI=1/C28H28F3N3O2/c1-26(2,3)25(35)34-13-11-33(12-14-34)19-15-21(18-7-6-10-32-17-18)24-20-8-4-5-9-22(20)27(36,23(24)16-19)28(29,30)31/h4-10,15-17,36H,11-14H2,1-3H3
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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)

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=1/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)

More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM137883
PNG
(US8871934, 476 | US8871934, 657)
Show SMILES OCCn1cc(cn1)-c1cc(cc2c1-c1ccccc1C2(O)C(F)(F)F)C(=O)N1CCCC1
Show InChI InChI=1/C24H22F3N3O3/c25-24(26,27)23(33)19-6-2-1-5-17(19)21-18(16-13-28-30(14-16)9-10-31)11-15(12-20(21)23)22(32)29-7-3-4-8-29/h1-2,5-6,11-14,31,33H,3-4,7-10H2
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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)

More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM137834
PNG
(US8871934, 427)
Show SMILES CN(C)C(=O)CCCOc1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(c1)-c1cnn(C)c1
Show InChI InChI=1/C24H24F3N3O3/c1-29(2)21(31)9-6-10-33-16-11-18(15-13-28-30(3)14-15)22-17-7-4-5-8-19(17)23(32,20(22)12-16)24(25,26)27/h4-5,7-8,11-14,32H,6,9-10H2,1-3H3
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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)

More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM137882
PNG
(US8871934, 475)
Show SMILES Cn1cc(cn1)-c1cc(OCC(=O)N2CC(O)C2)cc2c1-c1ccccc1C2(O)C(F)(F)F
Show InChI InChI=1/C23H20F3N3O4/c1-28-9-13(8-27-28)17-6-15(33-12-20(31)29-10-14(30)11-29)7-19-21(17)16-4-2-3-5-18(16)22(19,32)23(24,25)26/h2-9,14,30,32H,10-12H2,1H3
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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)

More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM137898
PNG
(US8871934, 491)
Show SMILES OC1(c2ccccc2-c2c1cc(OCCN1CCCC1=O)cc2-c1cn[nH]c1)C(F)(F)F
Show InChI InChI=1/C23H20F3N3O3/c24-23(25,26)22(31)18-5-2-1-4-16(18)21-17(14-12-27-28-13-14)10-15(11-19(21)22)32-9-8-29-7-3-6-20(29)30/h1-2,4-5,10-13,31H,3,6-9H2,(H,27,28)
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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)

More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM138110
PNG
(US8871934, 703)
Show SMILES OCC(CO)(CO)n1cc(cn1)-c1cc(F)cc2c1-c1ccccc1C2(O)C(F)(F)F
Show InChI InChI=1/C21H18F4N2O4/c22-13-5-15(12-7-26-27(8-12)19(9-28,10-29)11-30)18-14-3-1-2-4-16(14)20(31,17(18)6-13)21(23,24)25/h1-8,28-31H,9-11H2
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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)

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=1/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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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)

More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM137973
PNG
(US8871934, 566)
Show SMILES OC[C@H](O)Cn1cc(cn1)-c1cc(F)cc2c1-c1ccccc1C2(O)C(F)(F)F
Show InChI InChI=1/C20H16F4N2O3/c21-12-5-15(11-7-25-26(8-11)9-13(28)10-27)18-14-3-1-2-4-16(14)19(29,17(18)6-12)20(22,23)24/h1-8,13,27-29H,9-10H2/t13-,19?/s2
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n/an/a 21n/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)

More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM137987
PNG
(US8871934, 580)
Show SMILES OCCn1cc(cn1)-c1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(c1)-c1cnn(CCO)c1
Show InChI InChI=1/C24H21F3N4O3/c25-24(26,27)23(34)20-4-2-1-3-18(20)22-19(17-12-29-31(14-17)6-8-33)9-15(10-21(22)23)16-11-28-30(13-16)5-7-32/h1-4,9-14,32-34H,5-8H2
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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)

More data for this
Ligand-Target Pair
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