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BDBM137899 US8871934, 492::US8871934, 529

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

InChI Key: InChIKey=YEUDACDOZNWCHD-UHFFFAOYSA-N

Data: 2 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 137899   
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))
BDBM137899
PNG
(US8871934, 492 | US8871934, 529)
Show SMILES Cc1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(c1)-c1cnn(CCO)c1
Show InChI InChI=1S/C20H17F3N2O2/c1-12-8-15(13-10-24-25(11-13)6-7-26)18-14-4-2-3-5-16(14)19(27,17(18)9-12)20(21,22)23/h2-5,8-11,26-27H,6-7H2,1H3
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Similars

US Patent
n/an/a 17n/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))
BDBM137899
PNG
(US8871934, 492 | US8871934, 529)
Show SMILES Cc1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(c1)-c1cnn(CCO)c1
Show InChI InChI=1S/C20H17F3N2O2/c1-12-8-15(13-10-24-25(11-13)6-7-26)18-14-4-2-3-5-16(14)19(27,17(18)9-12)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 40n/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