BindingDB logo
myBDB logout

BDBM137964 US8871934, 557

SMILES: Cn1cc(cn1)-c1cc(CO)cc2c1-c1ccccc1C2(O)C(F)(F)F

InChI Key: InChIKey=OQNGQDUOUIZENV-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB:
Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 137964   
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))
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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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