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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50237394   
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 1, mitochondrial


(Homo sapiens (Human))
BDBM50237394
PNG
(CHEMBL4059513)
Show SMILES OC[C@@H]1COCCN1C(=S)SSC(=S)N1CCOC[C@H]1CO |r|
Show InChI InChI=1S/C12H20N2O4S4/c15-5-9-7-17-3-1-13(9)11(19)21-22-12(20)14-2-4-18-8-10(14)6-16/h9-10,15-16H,1-8H2/t9-,10-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.02E+3n/an/an/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of full length His6-tagged PDK1 (unknown origin) expressed in Escherichia coli using full length His6-tagged PDHA1 as substrate after 30 m...


J Med Chem 60: 2227-2244 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01245
BindingDB Entry DOI: 10.7270/Q2RN3B3M
More data for this
Ligand-Target Pair