BDBM18494 3-(2,4-diamino-6-methylpyrimidin-5-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-yn-1-ol::JMC517532 Compound 9::Propargyl-linked, 7::Propargyl-substituted antifolate, 9::TMP derivative with propargyl-based linker, 25

SMILES COc1cc(cc(OC)c1OC)C(O)C#Cc1c(C)nc(N)nc1N

InChI Key InChIKey=MRGVCWULZNEIIL-UHFFFAOYSA-N

Data  1 KI  11 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 18494   

TargetBifunctional dihydrofolate reductase-thymidylate synthase(Cryptosporidium parvum)
Dartmouth College

LigandPNGBDBM18494(Propargyl-substituted antifolate, 9 | Propargyl-li...)
Affinity DataIC50: 1.41E+5nMpH: 7.0 T: 2°CAssay Description:Enzyme activity assays were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over a period of severa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/17/2007
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Dartmouth College

LigandPNGBDBM18494(Propargyl-substituted antifolate, 9 | Propargyl-li...)
Affinity DataIC50: 9.10E+3nMpH: 7.0 T: 2°CAssay Description:Enzyme activity assays were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over a period of severa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/17/2007
Entry Details Article
PubMed
TargetDihydrofolate reductase(Bacillus anthracis)
University of Connecticut

LigandPNGBDBM18494(Propargyl-substituted antifolate, 9 | Propargyl-li...)
Affinity DataIC50: 1.45E+4nMpH: 7.0 T: 2°CAssay Description:Enzyme activity assays were performed by monitoring the rate of enzyme-dependent NADPH oxidation at an absorbance of 340 nm over several minutes. All...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/25/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetDihydrofolate reductase(Human)
University of Connecticut

LigandPNGBDBM18494(Propargyl-substituted antifolate, 9 | Propargyl-li...)
Affinity DataIC50: 5.71E+3nMAssay Description:Enzyme activity assays were performed by monitoring the rate of enzyme-dependent NADPH oxidation at an absorbance of 340 nm over several minutes. All...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/25/2009
Entry Details Article
PubMed
TargetDihydrofolate reductase(Human)
University of Connecticut

LigandPNGBDBM18494(Propargyl-substituted antifolate, 9 | Propargyl-li...)
Affinity DataIC50: 5.71E+3nMT: 2°CAssay Description:Enzyme inhibition assay using CgDHFR and hDHFR performed at 25 degree Celsius by monitoring the rate of enzyme-dependent NADPH oxidation at an absorb...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2011
Entry Details Article
PubMed
TargetDihydrofolate reductase(Yeast)
University of Connecticut

LigandPNGBDBM18494(Propargyl-substituted antifolate, 9 | Propargyl-li...)
Affinity DataIC50: 39nMT: 2°CAssay Description:Enzyme inhibition assay using CgDHFR and hDHFR performed at 25 degree Celsius by monitoring the rate of enzyme-dependent NADPH oxidation at an absorb...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2011
Entry Details Article
PubMed
TargetDihydrofolate reductase(Yeast)
University of Connecticut

LigandPNGBDBM18494(Propargyl-substituted antifolate, 9 | Propargyl-li...)
Affinity DataIC50: 39nMAssay 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

LigandPNGBDBM18494(Propargyl-substituted antifolate, 9 | Propargyl-li...)
Affinity DataIC50: 5.71E+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
TargetDihydrofolate reductase(Human)
University of Connecticut

LigandPNGBDBM18494(Propargyl-substituted antifolate, 9 | Propargyl-li...)
Affinity DataIC50: 5.71E+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
LigandPNGBDBM18494(Propargyl-substituted antifolate, 9 | Propargyl-li...)
Affinity DataIC50: 980nMAssay 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
TargetDihydrofolate reductase(Bacillus anthracis)
University of Connecticut

LigandPNGBDBM18494(Propargyl-substituted antifolate, 9 | Propargyl-li...)
Affinity DataIC50: 1.45E+4nMAssay Description:Inhibition of wild type Bacillus anthracis recombinant DHFRMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2011
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetDihydrofolate reductase(Bacillus anthracis)
University of Connecticut

LigandPNGBDBM18494(Propargyl-substituted antifolate, 9 | Propargyl-li...)
Affinity DataKi:  4.89E+3nMAssay Description:Inhibition of wild type Bacillus anthracis recombinant DHFRMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2011
Entry Details Article
PubMedPDB3D3D Structure (crystal)