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4 similar compounds to monomer 137974

Compile data set for download or QSAR
Wt: 358.3
BDBM137962
Wt: 360.3
BDBM137964
Wt: 410.3
BDBM137986
Wt: 330.3
BDBM137670

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 137962,137964,137986,137670   
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

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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))
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

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antibodypedia
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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))
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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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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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))
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
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