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SMILES: N[C@@H](CC(N)=O)C(=O)N1CC(C1)Nc1ccc2CN(Cc2c1)S(=O)(=O)c1ccc(O)cc1O

InChI Key: InChIKey=MTHIATWVWDQIES-KRWDZBQOSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50232926   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial


(Homo sapiens (Human))		BDBM50232926
PNG
(CHEMBL4080017)
Show SMILES N[C@@H](CC(N)=O)C(=O)N1CC(C1)Nc1ccc2CN(Cc2c1)S(=O)(=O)c1ccc(O)cc1O |r|
Show InChI InChI=1S/C21H25N5O6S/c22-17(7-20(23)29)21(30)25-10-15(11-25)24-14-2-1-12-8-26(9-13(12)5-14)33(31,32)19-4-3-16(27)6-18(19)28/h1-6,15,17,24,27-28H,7-11,22H2,(H2,23,29)/t17-/m0/s1
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PubMed
n/an/a 65n/an/an/an/an/an/a



National Institute of Biological Science

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-SUMO tagged recombinant human PDK2 using [32P]-gamma-ATP assessed as decrease in incorporation of radioactivity into E1...

J Med Chem 60: 1142-1150 (2017)


BindingDB Entry DOI: 10.7270/Q2BP0514
More data for this
Ligand-Target Pair