BDBM50429697 CHEMBL2335419

SMILES CCc1c(c(nc(n1)N)N)C#C[C@H](C)c2cc(cc(c2)OC)c3ccncc3

InChI Key InChIKey=KEPLBUUTAQCZOE-UHFFFAOYSA-N

Data  1 KI  6 IC50

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

US Patent
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. aureu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/9/2015
Entry Details
Go to US Patent

TargetDihydrofolate reductase(Streptococcus pyogenes (Firmicutes))
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. aureu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/9/2015
Entry Details
Go to US Patent

TargetDihydrofolate reductase(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. aureu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/9/2015
Entry Details
Go to US Patent

TargetDihydrofolate reductase(Staphylococcus aureus)
University of Connecticut

US Patent
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
In Depth
Date in BDB:
5/8/2016
Entry Details Article
PubMed
TargetDihydrofolate reductase(Human)
University of Connecticut

US Patent
LigandPNGBDBM50429697(CHEMBL2335419)
Affinity DataIC50: 1.30E+3nMAssay Description:Inhibition of human DHFRMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetDihydrofolate reductase(Yeast)
University of Connecticut

Curated by ChEMBL
LigandPNGBDBM50429697(CHEMBL2335419)
Affinity DataIC50: 60nMAssay Description:Inhibition of Candida albicans DHFRMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetDihydrofolate reductase(Staphylococcus aureus)
University of Connecticut

US Patent
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
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMed