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BDBM137974 US8871934, 567

SMILES: Cc1nn(C)c(C)c1-c1cccc2c1-c1ccccc1C2(O)C(F)(F)F

InChI Key: InChIKey=PVRMYQXVOUIGCU-UHFFFAOYSA-N

Data: 1 IC50

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Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 137974   
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))
BDBM137974
PNG
(US8871934, 567)
Show SMILES Cc1nn(C)c(C)c1-c1cccc2c1-c1ccccc1C2(O)C(F)(F)F
Show InChI InChI=1S/C20H17F3N2O/c1-11-17(12(2)25(3)24-11)14-8-6-10-16-18(14)13-7-4-5-9-15(13)19(16,26)20(21,22)23/h4-10,26H,1-3H3
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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