BDBM25819 5-{3-[3-methoxy-5-(2-methylphenyl)phenyl]but-1-yn-1-yl}-6-methylpyrimidine-2,4-diamine::Biphenyl antifolate, 5::propargyl-based inhibitor, 10b (+/-)

SMILES COc1cc(cc(c1)-c1ccccc1C)C(C)C#Cc1c(C)nc(N)nc1N

InChI Key InChIKey=USMIUYUTXWJTSL-UHFFFAOYSA-N

Data  8 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 25819   

TargetBifunctional dihydrofolate reductase-thymidylate synthase(Cryptosporidium parvum)
University of Connecticut At Storrs

LigandPNGBDBM25819(5-{3-[3-methoxy-5-(2-methylphenyl)phenyl]but-1-yn-...)
Affinity DataIC50: 2.10nMpH: 7.0 T: 2°CAssay Description:Enzyme activity assays were performed by monitoring the change in UV absorbance at 340 nm. Enzyme assays were performed at least four times. IC50 val...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/5/2008
Entry Details Article
PubMed
TargetDihydrofolate reductase(Human)
University of Connecticut At Storrs

LigandPNGBDBM25819(5-{3-[3-methoxy-5-(2-methylphenyl)phenyl]but-1-yn-...)
Affinity DataIC50: 1.36E+3nMpH: 7.0 T: 2°CAssay Description:Enzyme activity assays were performed by monitoring the change in UV absorbance at 340 nm. Enzyme assays were performed at least four times. IC50 val...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/5/2008
Entry Details Article
PubMed
TargetDihydrofolate reductase(Yeast)
University of Connecticut

LigandPNGBDBM25819(5-{3-[3-methoxy-5-(2-methylphenyl)phenyl]but-1-yn-...)
Affinity DataIC50: 7.30nMAssay Description:Enzyme activity assay were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over 5 min.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/15/2011
Entry Details Article
PubMed
TargetDihydrofolate reductase(Human)
University of Connecticut At Storrs

LigandPNGBDBM25819(5-{3-[3-methoxy-5-(2-methylphenyl)phenyl]but-1-yn-...)
Affinity DataIC50: 1.40E+3nMAssay Description:Enzyme activity assay were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over 5 min.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/15/2011
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Cryptosporidium parvum)
University of Connecticut At Storrs

LigandPNGBDBM25819(5-{3-[3-methoxy-5-(2-methylphenyl)phenyl]but-1-yn-...)
Affinity DataIC50: 2.10nMAssay Description:Compounds were evaluated in spectrophotometric enzyme assays using ChDHFR-TS and hDHFR. Inhibition constants (IC50) were measured (see Table 4). The ...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 At Storrs

LigandPNGBDBM25819(5-{3-[3-methoxy-5-(2-methylphenyl)phenyl]but-1-yn-...)
Affinity DataIC50: 1.36E+3nMAssay Description:Compounds were evaluated in spectrophotometric enzyme assays using ChDHFR-TS and hDHFR. Inhibition constants (IC50) were measured (see Table 4). The ...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 At Storrs

LigandPNGBDBM25819(5-{3-[3-methoxy-5-(2-methylphenyl)phenyl]but-1-yn-...)
Affinity DataIC50: 1.36E+3nMAssay Description:Inhibition of human DHFR assessed as rate of NADPH consumption using dihydrofolate as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/29/2010
Entry Details Article
PubMed
TargetDihydrofolate reductase(Yeast)
University of Connecticut

Curated by ChEMBL
LigandPNGBDBM25819(5-{3-[3-methoxy-5-(2-methylphenyl)phenyl]but-1-yn-...)
Affinity DataIC50: 45nMAssay Description:Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/29/2010
Entry Details Article
PubMed