BDBM50498878 CHEMBL97567

SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(CCCCCCc2ccc(cc2)S(F)(=O)=O)cc1

InChI Key InChIKey=VNYWLJDMMFVHSV-UHFFFAOYSA-N

Data  2 KI  1 IC50  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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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 = 50498878   

TargetDihydrofolate reductase(Escherichia coli)
Georgia Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50498878(CHEMBL97567)
Affinity DataKd:  10nMAssay Description:Binding affinity to Escherichia coli DHFR at 10 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
LigandPNGBDBM50498878(CHEMBL97567)
Affinity DataKi:  93nMAssay 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
TargetDihydrofolate reductase(Escherichia coli)
Georgia Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50498878(CHEMBL97567)
Affinity DataKi:  101nMAssay 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
LigandPNGBDBM50498878(CHEMBL97567)
Affinity DataIC50: 1.84E+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