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SMILES: OC(=O)CC(=O)N1CCC(CC1)Nc1ccc2CN(Cc2c1)S(=O)(=O)c1ccc(O)cc1O

InChI Key: InChIKey=JVUZJIJKEITZHI-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50232908   
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))		BDBM50232908
PNG
(CHEMBL4061270)
Show SMILES OC(=O)CC(=O)N1CCC(CC1)Nc1ccc2CN(Cc2c1)S(=O)(=O)c1ccc(O)cc1O
Show InChI InChI=1S/C22H25N3O7S/c26-18-3-4-20(19(27)10-18)33(31,32)25-12-14-1-2-17(9-15(14)13-25)23-16-5-7-24(8-6-16)21(28)11-22(29)30/h1-4,9-10,16,23,26-27H,5-8,11-13H2,(H,29,30)
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KEGG

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PC sid
UniChem

Similars
PubMed
n/an/a 1.66E+3n/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