BDBM26521 6-ethyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]pyrimidine-2,4-diamine::Propargyl inhibitor, 20

SMILES CCc1c(c(nc(n1)N)N)C#CCc2cc(c(c(c2)OC)OC)OC

InChI Key InChIKey=VPNXKXUNASBBLU-UHFFFAOYSA-N

Data  1 KI  5 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 26521   

TargetDihydrofolate reductase(Bacillus anthracis)
University of Connecticut

LigandPNGBDBM26521(6-ethyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-y...)
Affinity DataIC50: 942nMpH: 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

LigandPNGBDBM26521(6-ethyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-y...)
Affinity DataIC50: 57nMAssay 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

LigandPNGBDBM26521(6-ethyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-y...)
Affinity DataIC50: 57nMAssay 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
LigandPNGBDBM26521(6-ethyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-y...)
Affinity DataIC50: 18nMAssay 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

LigandPNGBDBM26521(6-ethyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-y...)
Affinity DataIC50: 942nMAssay 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

LigandPNGBDBM26521(6-ethyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-y...)
Affinity DataKi:  320nMAssay 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)