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BDBM50472647 CHEMBL73099

SMILES: CC(C)CNS(=O)(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1

InChI Key: InChIKey=QSBISIOFJGEMQH-CYBMUJFWSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50472647   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Pyruvate dehydrogenase kinase


(Homo sapiens (Human))
BDBM50472647
PNG
(CHEMBL73099)
Show SMILES CC(C)CNS(=O)(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1
Show InChI InChI=1S/C14H18ClF3N2O4S/c1-8(2)7-19-25(23,24)9-4-5-11(10(15)6-9)20-12(21)13(3,22)14(16,17)18/h4-6,8,19,22H,7H2,1-3H3,(H,20,21)/t13-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of porcine pyruvate dehydrogenase kinase (PDHK)in a primary enzymatic assay


J Med Chem 43: 2248-57 (2000)


Article DOI: 10.1021/jm0000923
BindingDB Entry DOI: 10.7270/Q2C82D1Z
More data for this
Ligand-Target Pair