BDBM50498872 CHEMBL333873

SMILES CCOc1ccc(cc1)N1C(N)=NC(N)=NC1(C)C

InChI Key InChIKey=VLQRTOJDGFJEIE-UHFFFAOYSA-N

Data  1 KI  1 IC50  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50498872   

TargetDihydrofolate reductase(Escherichia coli)
Georgia Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50498872(CHEMBL333873)
Affinity DataKd:  2.45E+4nMAssay Description:Binding affinity to Escherichia coli DHFR at 500 uM using spyro orange reporter dye by differential scanning fluorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/3/2020
Entry Details Article
PubMed
TargetDihydrofolate reductase(Escherichia coli)
Georgia Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50498872(CHEMBL333873)
Affinity DataIC50: 2.63E+5nMAssay Description:Inhibition of Escherichia coli DHFR assessed as NADP formationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/3/2020
Entry Details Article
PubMed
TargetDihydrofolate reductase(Escherichia coli)
Georgia Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50498872(CHEMBL333873)
Affinity DataKi:  1.12E+4nMAssay Description:Inhibition of Escherichia coli DHFR assessed as NADP formation by quadratic Morrison plot analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/3/2020
Entry Details Article
PubMed