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BDBM50237391 CHEMBL4097062

SMILES: OC(=O)C1CN(CCO1)C(=S)SSC(=S)N1CCOC(C1)C(O)=O

InChI Key: InChIKey=LAATYSNUDSYNEL-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50237391   
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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform/[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial


(Homo sapiens (Human))
BDBM50237391
PNG
(CHEMBL4097062)
Show SMILES OC(=O)C1CN(CCO1)C(=S)SSC(=S)N1CCOC(C1)C(O)=O
Show InChI InChI=1S/C12H16N2O6S4/c15-9(16)7-5-13(1-3-19-7)11(21)23-24-12(22)14-2-4-20-8(6-14)10(17)18/h7-8H,1-6H2,(H,15,16)(H,17,18)
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Similars

Article
PubMed
n/an/a 126n/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