BDBM18496 5-[3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine::JMC517532 Compound 10::Propargyl-linked, 8::Propargyl-substituted antifolate, 10::TMP derivative with propargyl-based linker, 28

SMILES Cc1c(c(nc(n1)N)N)C#C[C@H](c2cc(c(c(c2)OC)OC)OC)OC

InChI Key InChIKey=WGUCJULKGMTPOP-UHFFFAOYSA-N

Data  1 KI  11 IC50

PDB links: 2 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 18496   

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

LigandPNGBDBM18496(JMC517532 Compound 10 | Propargyl-substituted anti...)
Affinity DataIC50: 5.00E+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
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Dartmouth College

LigandPNGBDBM18496(JMC517532 Compound 10 | Propargyl-substituted anti...)
Affinity DataIC50: 550nMpH: 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

LigandPNGBDBM18496(JMC517532 Compound 10 | Propargyl-substituted anti...)
Affinity DataIC50: 2.91E+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

LigandPNGBDBM18496(JMC517532 Compound 10 | Propargyl-substituted anti...)
Affinity DataIC50: 1.22E+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

LigandPNGBDBM18496(JMC517532 Compound 10 | Propargyl-substituted anti...)
Affinity DataIC50: 1.22E+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

LigandPNGBDBM18496(JMC517532 Compound 10 | Propargyl-substituted anti...)
Affinity DataIC50: 30nMT: 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

LigandPNGBDBM18496(JMC517532 Compound 10 | Propargyl-substituted anti...)
Affinity DataIC50: 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

LigandPNGBDBM18496(JMC517532 Compound 10 | Propargyl-substituted anti...)
Affinity DataIC50: 1.22E+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

LigandPNGBDBM18496(JMC517532 Compound 10 | Propargyl-substituted anti...)
Affinity DataIC50: 1.22E+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
LigandPNGBDBM18496(JMC517532 Compound 10 | Propargyl-substituted anti...)
Affinity DataIC50: 320nMAssay 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

LigandPNGBDBM18496(JMC517532 Compound 10 | Propargyl-substituted anti...)
Affinity DataIC50: 2.91E+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

LigandPNGBDBM18496(JMC517532 Compound 10 | Propargyl-substituted anti...)
Affinity DataKi:  9.81E+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)