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BDBM138044 US8871934, 637

SMILES: Cn1cc(cn1)-c1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(CC(N)=O)c1

InChI Key: InChIKey=FRXAARMCPIPDFK-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 = 138044   
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))
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)
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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