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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protein-serine/threonine kinase'   
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
Protein-serine/threonine kinase/[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1/2/4, mitochondrial


(Rattus norvegicus)		BDBM50472785
PNG
(CHEMBL311859)
Show SMILES CC(O)(C(=O)N1CCC(Cc2ccccc2)CC1)C(F)(F)F
Show InChI InChI=1S/C16H20F3NO2/c1-15(22,16(17,18)19)14(21)20-9-7-13(8-10-20)11-12-5-3-2-4-6-12/h2-6,13,22H,7-11H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.16E+3n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats.

J Med Chem 43: 236-49 (2000)


Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ
More data for this
Ligand-Target Pair