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36 similar compounds to monomer 137784

Compile data set for download or QSAR
Wt: 374.3
BDBM138025
Wt: 374.3
BDBM137899
Wt: 416.4
BDBM138057
Wt: 358.3
BDBM137962
Wt: 360.3
BDBM137964
Wt: 387.3
BDBM138044
Wt: 402.4
BDBM138045
Wt: 346.3
BDBM137971
Wt: 360.3
BDBM137977
Wt: 374.3
BDBM138050
Wt: 316.2
BDBM137684
Wt: 402.4
BDBM138056
Wt: 372.3
BDBM137793
Wt: 374.3
BDBM137843
Wt: 354.3
BDBM137985
Displayed 1 to 15 (of 36 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 138025,137899,138057,137962,137964,138044,138045,137971,137977,138050,137684,138056,137793,137843,137985   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial


(Homo sapiens (Human))
BDBM137684
PNG
(US8871934, 277)
Show SMILES OC1(c2ccccc2-c2c1cccc2-c1cn[nH]c1)C(F)(F)F
PDB

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US Patent
n/an/a 125n/an/an/an/a8.030



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 (acetyl-transferring)] kinase isozyme 2, mitochondrial


(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=1S/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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US Patent
n/an/a 17n/an/an/an/a8.030



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 (acetyl-transferring)] kinase isozyme 2, mitochondrial


(Homo sapiens (Human))
BDBM137843
PNG
(US8871934, 436)
Show SMILES OCCCn1cc(cn1)-c1cccc2c1-c1ccccc1C2(O)C(F)(F)F
Show InChI InChI=1S/C20H17F3N2O2/c21-20(22,23)19(27)16-7-2-1-5-15(16)18-14(6-3-8-17(18)19)13-11-24-25(12-13)9-4-10-26/h1-3,5-8,11-12,26-27H,4,9-10H2
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US Patent
n/an/a 65n/an/an/an/a8.030



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 (acetyl-transferring)] kinase isozyme 2, mitochondrial


(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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US Patent
n/an/a 40n/an/an/an/a8.030



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 (acetyl-transferring)] kinase isozyme 2, mitochondrial


(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
PDB

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US Patent
n/an/a 17n/an/an/an/a8.030



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 (acetyl-transferring)] kinase isozyme 2, mitochondrial


(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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US Patent
n/an/a>1.00E+3n/an/an/an/a8.030



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 (acetyl-transferring)] kinase isozyme 2, mitochondrial


(Homo sapiens (Human))
BDBM137964
PNG
(US8871934, 557)
Show SMILES Cn1cc(cn1)-c1cc(CO)cc2c1-c1ccccc1C2(O)C(F)(F)F
Show InChI InChI=1S/C19H15F3N2O2/c1-24-9-12(8-23-24)14-6-11(10-25)7-16-17(14)13-4-2-3-5-15(13)18(16,26)19(20,21)22/h2-9,25-26H,10H2,1H3
PDB

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US Patent
n/an/a 77n/an/an/an/a8.030



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 (acetyl-transferring)] kinase isozyme 2, mitochondrial


(Homo sapiens (Human))
BDBM137971
PNG
(US8871934, 564)
Show SMILES Cn1cc(cn1)-c1cc(O)cc2c1-c1ccccc1C2(O)C(F)(F)F
Show InChI InChI=1S/C18H13F3N2O2/c1-23-9-10(8-22-23)13-6-11(24)7-15-16(13)12-4-2-3-5-14(12)17(15,25)18(19,20)21/h2-9,24-25H,1H3
PDB

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US Patent
n/an/a 105n/an/an/an/a8.030



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 (acetyl-transferring)] kinase isozyme 2, mitochondrial


(Homo sapiens (Human))
BDBM137977
PNG
(US8871934, 570)
Show SMILES Cn1cc(cn1)-c1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(CO)c1
Show InChI InChI=1S/C19H15F3N2O2/c1-24-9-13(8-23-24)11-6-12(10-25)17-14-4-2-3-5-15(14)18(26,16(17)7-11)19(20,21)22/h2-9,25-26H,10H2,1H3
PDB

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US Patent
n/an/a 110n/an/an/an/a8.030



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 (acetyl-transferring)] kinase isozyme 2, mitochondrial


(Homo sapiens (Human))
BDBM137985
PNG
(US8871934, 578)
Show SMILES Cn1cc(cn1)-c1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(c1)C#C
Show InChI InChI=1S/C20H13F3N2O/c1-3-12-8-13(14-10-24-25(2)11-14)9-17-18(12)15-6-4-5-7-16(15)19(17,26)20(21,22)23/h1,4-11,26H,2H3
PDB

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US Patent
n/an/a 78n/an/an/an/a8.030



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 (acetyl-transferring)] kinase isozyme 2, mitochondrial


(Homo sapiens (Human))
BDBM138025
PNG
(US8871934, 618 | US8871934, 629)
Show SMILES CCn1cc(cn1)-c1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(CO)c1
Show InChI InChI=1S/C20H17F3N2O2/c1-2-25-10-14(9-24-25)12-7-13(11-26)18-15-5-3-4-6-16(15)19(27,17(18)8-12)20(21,22)23/h3-10,26-27H,2,11H2,1H3
PDB

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US Patent
n/an/a 56n/an/an/an/a8.030



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 (acetyl-transferring)] kinase isozyme 2, mitochondrial


(Homo sapiens (Human))
BDBM138025
PNG
(US8871934, 618 | US8871934, 629)
Show SMILES CCn1cc(cn1)-c1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(CO)c1
Show InChI InChI=1S/C20H17F3N2O2/c1-2-25-10-14(9-24-25)12-7-13(11-26)18-15-5-3-4-6-16(15)19(27,17(18)8-12)20(21,22)23/h3-10,26-27H,2,11H2,1H3
PDB

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US Patent
n/an/a 45n/an/an/an/a8.030



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 (acetyl-transferring)] kinase isozyme 2, mitochondrial


(Homo sapiens (Human))
BDBM138044
PNG
(US8871934, 637)
Show SMILES Cn1cc(cn1)-c1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(CC(N)=O)c1
Show InChI InChI=1S/C20H16F3N3O2/c1-26-10-13(9-25-26)11-6-12(8-17(24)27)18-14-4-2-3-5-15(14)19(28,16(18)7-11)20(21,22)23/h2-7,9-10,28H,8H2,1H3,(H2,24,27)
PDB

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US Patent
n/an/a>1.00E+3n/an/an/an/a8.030



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 (acetyl-transferring)] kinase isozyme 2, mitochondrial


(Homo sapiens (Human))
BDBM138045
PNG
(US8871934, 638)
Show SMILES CC(C)(C)n1cc(cn1)-c1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(CO)c1
Show InChI InChI=1S/C22H21F3N2O2/c1-20(2,3)27-11-15(10-26-27)13-8-14(12-28)19-16-6-4-5-7-17(16)21(29,18(19)9-13)22(23,24)25/h4-11,28-29H,12H2,1-3H3
PDB

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US Patent
n/an/a 127n/an/an/an/a8.030



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 (acetyl-transferring)] kinase isozyme 2, mitochondrial


(Homo sapiens (Human))
BDBM138050
PNG
(US8871934, 643)
Show SMILES Cn1cc(cn1)-c1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(CCO)c1
Show InChI InChI=1S/C20H17F3N2O2/c1-25-11-14(10-24-25)13-8-12(6-7-26)18-15-4-2-3-5-16(15)19(27,17(18)9-13)20(21,22)23/h2-5,8-11,26-27H,6-7H2,1H3
PDB

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US Patent
n/an/a 184n/an/an/an/a8.030



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 (acetyl-transferring)] kinase isozyme 2, mitochondrial


(Homo sapiens (Human))
BDBM138056
PNG
(US8871934, 649)
Show SMILES CC(C)Cn1cc(cn1)-c1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(CO)c1
Show InChI InChI=1S/C22H21F3N2O2/c1-13(2)10-27-11-16(9-26-27)14-7-15(12-28)20-17-5-3-4-6-18(17)21(29,19(20)8-14)22(23,24)25/h3-9,11,13,28-29H,10,12H2,1-2H3
PDB

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US Patent
n/an/a 37n/an/an/an/a8.030



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 (acetyl-transferring)] kinase isozyme 2, mitochondrial


(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=1S/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
PDB

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US Patent
n/an/a 36n/an/an/an/a8.030



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 (acetyl-transferring)] kinase isozyme 2, mitochondrial


(Homo sapiens (Human))
BDBM137793
PNG
(US8871934, 386)
Show SMILES CC(C)Cn1cc(cn1)-c1cccc2c1-c1ccccc1C2(O)C(F)(F)F
Show InChI InChI=1S/C21H19F3N2O/c1-13(2)11-26-12-14(10-25-26)15-7-5-9-18-19(15)16-6-3-4-8-17(16)20(18,27)21(22,23)24/h3-10,12-13,27H,11H2,1-2H3
PDB

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US Patent
n/an/a 89n/an/an/an/a8.030



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