BDBM50589543 CHEMBL4277786

SMILES Cc1ncc(Cn2cc(CCO)nn2)c(N)n1

InChI Key InChIKey=NOERNUYYYHTDDC-UHFFFAOYSA-N

Data  2 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50589543   

LigandPNGBDBM50589543(CHEMBL4277786)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of porcine PDHc E1-subunit incubated for 30 mins followed by pyruvate addition in presence of thiamine pyrophosphate by microplate reader ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed
LigandPNGBDBM50589543(CHEMBL4277786)
Affinity DataKi:  150nMAssay Description:Binding affinity to porcine PDHc E1-subunit assessed as inhibition constant incubated for 30 mins followed by pyruvate addition by microplate reader ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed
TargetPyruvate decarboxylase(Zymomonas mobilis subsp. mobilis (strain ATCC 3182...)
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50589543(CHEMBL4277786)
Affinity DataKi:  3.00E+5nMAssay Description:Inhibition of Zymomonas mobilis pyruvate decarboxylase incubated for 3 mins using pyruvate as substrate in presence of TPP by spectrophotometric anal...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed