BindingDB logo
myBDB logout

10 similar compounds to monomer 138044

Compile data set for download or QSAR
Wt: 374.3
BDBM138025
Wt: 360.3
BDBM137964
Wt: 360.3
BDBM137977
Wt: 374.3
BDBM138050
Wt: 330.3
BDBM137784
Wt: 410.3
BDBM137986
Wt: 388.3
BDBM137998
Wt: 374.3
BDBM138004
Wt: 374.3
BDBM138005
Wt: 330.3
BDBM137670

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 138025,137964,137977,138050,137784,137986,137998,138004,138005,137670   
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))
BDBM137670
PNG
(US8871934, 263)
Show SMILES Cn1cc(cn1)-c1cccc2c1-c1ccccc1C2(O)C(F)(F)F
Show InChI InChI=1S/C18H13F3N2O/c1-23-10-11(9-22-23)12-6-4-8-15-16(12)13-5-2-3-7-14(13)17(15,24)18(19,20)21/h2-10,24H,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 133n/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))
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
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))
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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

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))
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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

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))
BDBM137986
PNG
(US8871934, 579)
Show SMILES Cn1cc(cn1)-c1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(c1)-c1cnn(C)c1
Show InChI InChI=1S/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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
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))
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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

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))
BDBM138004
PNG
(US8871934, 597)
Show SMILES CCn1cc(cn1)-c1ccc2-c3c(cccc3CO)C(O)(c2c1)C(F)(F)F
Show InChI InChI=1S/C20H17F3N2O2/c1-2-25-10-14(9-24-25)12-6-7-15-17(8-12)19(27,20(21,22)23)16-5-3-4-13(11-26)18(15)16/h3-10,26-27H,2,11H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

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))
BDBM138005
PNG
(US8871934, 598)
Show SMILES CC(O)c1cc(cc2c1-c1ccccc1C2(O)C(F)(F)F)-c1cnn(C)c1
Show InChI InChI=1S/C20H17F3N2O2/c1-11(26)15-7-12(13-9-24-25(2)10-13)8-17-18(15)14-5-3-4-6-16(14)19(17,27)20(21,22)23/h3-11,26-27H,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 653n/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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

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))
BDBM137998
PNG
(US8871934, 591)
Show SMILES Cn1cc(cn1)-c1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(c1)C(C)(C)O
Show InChI InChI=1S/C21H19F3N2O2/c1-19(2,27)16-8-12(13-10-25-26(3)11-13)9-17-18(16)14-6-4-5-7-15(14)20(17,28)21(22,23)24/h4-11,27-28H,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

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