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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial' and Ligand = 'BDBM50232922'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50232922
PNG
(CHEMBL4099564)
Show SMILES Oc1ccc(c(O)c1)S(=O)(=O)N1Cc2ccc(cc2C1)N1CCCCC1
Show InChI InChI=1S/C19H22N2O4S/c22-17-6-7-19(18(23)11-17)26(24,25)21-12-14-4-5-16(10-15(14)13-21)20-8-2-1-3-9-20/h4-7,10-11,22-23H,1-3,8-9,12-13H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.37E+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)


Article DOI: 10.1021/acs.jmedchem.6b01540
BindingDB Entry DOI: 10.7270/Q2BP0514
More data for this
Ligand-Target Pair