BDBM50641258 CHEMBL5563206

SMILES CC(C)c1cc(OCC2CC2)c(I)cc1Oc1cnc(N)nc1N

InChI Key

  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 3 hits for monomerid = 50641258   

TargetDihydrofolate reductase(Staphylococcus aureus)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50641258(CHEMBL5563206)
Affinity DataIC50: 0.970nMAssay Description:Inhibition of Staphylococcus aureus DHFR expressed in Escherichia coli BL21 (DE3) using DHF as substrate preincubated for 10 mins followed by substra...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetDihydrofolate reductase(Staphylococcus aureus)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50641258(CHEMBL5563206)
Affinity DataKd:  1.54E+3nMAssay Description:Binding affinity to Staphylococcus aureus DHFR expressed in Escherichia coli BL21 (DE3) assessed dissociation constant by ITC analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetDihydrofolate reductase(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50641258(CHEMBL5563206)
Affinity DataIC50: 4.19E+3nMAssay Description:Inhibition of human DHFRMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed