BDBM50429697 CHEMBL2335419

SMILES CCc1nc(N)nc(N)c1C#CC(C)c1cc(OC)cc(c1)-c1ccncc1

InChI Key InChIKey=KEPLBUUTAQCZOE-UHFFFAOYSA-N

Data  1 KI  6 IC50

PDB links: 8 PDB IDs match this monomer.

  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 7 hits for monomerid = 50429697   

TargetDihydrofolate reductase(Staphylococcus aureus)
University Of Connecticut

Curated by ChEMBL
LigandPNGBDBM50429697(CHEMBL2335419)
Affinity DataKi:  2.80nMAssay Description:Inhibition of TMP/methicillin-resistant Staphylococcus aureus wild type DHFR assessed as oxidation of NADPH pre-incubated for 5 mins followed by dihy...More data for this Ligand-Target Pair
TargetDihydrofolate reductase(Streptococcus pyogenes)
University Of Connecticut

US Patent
LigandPNGBDBM50429697(CHEMBL2335419)
Affinity DataIC50:  180nMAssay Description:Heterocyclic analogs of propargyl-linked inhibitors of the third generation analogs were evaluated in enzyme inhibition assays, assessed for S. aur...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetDihydrofolate reductase(Homo sapiens (Human))
University Of Connecticut

US Patent
LigandPNGBDBM50429697(CHEMBL2335419)
Affinity DataIC50:  1.30E+3nMAssay Description:Heterocyclic analogs of propargyl-linked inhibitors of the third generation analogs were evaluated in enzyme inhibition assays, assessed for S. aur...More data for this Ligand-Target Pair
TargetDihydrofolate reductase(Homo sapiens (Human))
University Of Connecticut

US Patent
LigandPNGBDBM50429697(CHEMBL2335419)
Affinity DataIC50:  1.30E+3nMAssay Description:Inhibition of human DHFRMore data for this Ligand-Target Pair
TargetDihydrofolate reductase(Candida albicans)
University Of Connecticut

Curated by ChEMBL
LigandPNGBDBM50429697(CHEMBL2335419)
Affinity DataIC50:  60nMAssay Description:Inhibition of Candida albicans DHFRMore data for this Ligand-Target Pair
TargetDihydrofolate reductase(Staphylococcus aureus)
University Of Connecticut

Curated by ChEMBL
LigandPNGBDBM50429697(CHEMBL2335419)
Affinity DataIC50:  19nMAssay Description:Heterocyclic analogs of propargyl-linked inhibitors of the third generation analogs were evaluated in enzyme inhibition assays, assessed for S. aur...More data for this Ligand-Target Pair
TargetDihydrofolate reductase(Staphylococcus aureus)
University Of Connecticut

Curated by ChEMBL
LigandPNGBDBM50429697(CHEMBL2335419)
Affinity DataIC50:  19nMAssay Description:Inhibition of Staphylococcus aureus DHFR assessed as reduction in rate of NADPH consumptionMore data for this Ligand-Target Pair