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SMILES: C[C@H](O)[C@H](N)C(=O)N1CCC(CC1)Nc1ccc2CN(Cc2c1)S(=O)(=O)c1ccc(O)cc1O

InChI Key: InChIKey=XBMIDXWAKCFHLJ-FPTDNZKUSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50232911   
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))		BDBM50232911
PNG
(CHEMBL4080613)
Show SMILES C[C@H](O)[C@H](N)C(=O)N1CCC(CC1)Nc1ccc2CN(Cc2c1)S(=O)(=O)c1ccc(O)cc1O |r|
Show InChI InChI=1S/C23H30N4O6S/c1-14(28)22(24)23(31)26-8-6-17(7-9-26)25-18-3-2-15-12-27(13-16(15)10-18)34(32,33)21-5-4-19(29)11-20(21)30/h2-5,10-11,14,17,22,25,28-30H,6-9,12-13,24H2,1H3/t14-,22-/m0/s1
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PubMed
n/an/a 91n/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