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54 similar compounds to monomer 138056

Compile data set for download or QSAR
Wt: 446.4
BDBM138055		Wt: 374.3
BDBM138025		Wt: 374.3
BDBM137899		Wt: 416.3
BDBM137946		Wt: 416.4
BDBM138057
Wt: 387.3
BDBM137893		Wt: 360.3
BDBM137964		Wt: 416.4
BDBM138038		Wt: 402.4
BDBM138045		Wt: 360.3
BDBM137977
Wt: 374.3
BDBM138050		Wt: 420.3
BDBM138113		Wt: 434.4
BDBM138114		Wt: 330.3
BDBM137784		Wt: 430.4
BDBM137982
Displayed 1 to 15 (of 54 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 138055,138025,137899,137946,138057,137893,137964,138038,138045,137977,138050,138113,138114,137784,137982   
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))		BDBM137784
PNG
(US8871934, 377)
Show SMILES Cn1cc(cn1)-c1ccc2-c3ccccc3C(O)(c2c1)C(F)(F)F
Show InChI InChI=1S/C18H13F3N2O/c1-23-10-12(9-22-23)11-6-7-14-13-4-2-3-5-15(13)17(24,16(14)8-11)18(19,20)21/h2-10,24H,1H3
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n/an/a 189n/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))		BDBM138114
PNG
(US8871934, 707)
Show SMILES Cc1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(c1)-c1cnn(c1)C(CO)(CO)CO
Show InChI InChI=1S/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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n/an/a 19n/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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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
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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))		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/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
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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))		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
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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))		BDBM137982
PNG
(US8871934, 575)
Show SMILES Cc1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(c1)-c1cnn(CC(C)(C)C(O)=O)c1
Show InChI InChI=1S/C23H21F3N2O3/c1-13-8-16(14-10-27-28(11-14)12-21(2,3)20(29)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,(H,29,30)
PDB

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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))		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
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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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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))		BDBM138038
PNG
(US8871934, 631)
Show SMILES CC(C)Cc1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(c1)-c1cnn(CCO)c1
Show InChI InChI=1S/C23H23F3N2O2/c1-14(2)9-15-10-18(16-12-27-28(13-16)7-8-29)21-17-5-3-4-6-19(17)22(30,20(21)11-15)23(24,25)26/h3-6,10-14,29-30H,7-9H2,1-2H3
PDB

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n/an/a 62n/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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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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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))		BDBM138055
PNG
(US8871934, 648 | US8871934, 665)
Show SMILES CC(C)Cc1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(c1)-c1cnn(c1)C(CO)CO
Show InChI InChI=1S/C24H25F3N2O3/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/h3-6,8-11,14,17,30-32H,7,12-13H2,1-2H3
PDB

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n/an/a 44n/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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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))		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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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))		BDBM138055
PNG
(US8871934, 648 | US8871934, 665)
Show SMILES CC(C)Cc1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(c1)-c1cnn(c1)C(CO)CO
Show InChI InChI=1S/C24H25F3N2O3/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/h3-6,8-11,14,17,30-32H,7,12-13H2,1-2H3
PDB

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n/an/a 23n/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))		BDBM138113
PNG
(US8871934, 706)
Show SMILES OCC(CO)(CO)n1cc(cn1)-c1cccc2c1-c1ccccc1C2(O)C(F)(F)F
Show InChI InChI=1S/C21H19F3N2O4/c22-21(23,24)20(30)16-6-2-1-4-15(16)18-14(5-3-7-17(18)20)13-8-25-26(9-13)19(10-27,11-28)12-29/h1-9,27-30H,10-12H2
PDB

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n/an/a 31n/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))		BDBM137893
PNG
(US8871934, 486)
Show SMILES NC(=O)CCn1cc(cn1)-c1cccc2c1-c1ccccc1C2(O)C(F)(F)F
Show InChI InChI=1S/C20H16F3N3O2/c21-20(22,23)19(28)15-6-2-1-4-14(15)18-13(5-3-7-16(18)19)12-10-25-26(11-12)9-8-17(24)27/h1-7,10-11,28H,8-9H2,(H2,24,27)
PDB

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n/an/a 55n/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