BDBM50498871 CHEMBL97313

SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(CCCCc2ccc(cc2)S(F)(=O)=O)c1

InChI Key InChIKey=UHUCUIUNKNVIKF-UHFFFAOYSA-N

Data  2 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
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50498871   

TargetDihydrofolate reductase(Escherichia coli)
Georgia Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50498871(CHEMBL97313)
Affinity DataKd:  6.93E+3nMAssay 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
LigandPNGBDBM50498871(CHEMBL97313)
Affinity DataIC50: 1.15E+3nMAssay 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
LigandPNGBDBM50498871(CHEMBL97313)
Affinity DataKi:  43nMAssay Description:Competitive inhibition of Escherichia coli DHFR by Lineweaver-Burk plot analysis in presence of H2FMore 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
LigandPNGBDBM50498871(CHEMBL97313)
Affinity DataKi:  50nMAssay 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