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BDBM138038 US8871934, 631

SMILES: CC(C)Cc1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(c1)-c1cnn(CCO)c1

InChI Key: InChIKey=WRKTXTKEFQPNID-UHFFFAOYSA-N

Data: 1 IC50

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Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 138038   
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))
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
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Similars

US Patent
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