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

SMILES CCc1nc(N)nc(N)c1C#CCc1cc(OC)c(OC)c(OC)c1

InChI Key InChIKey=VPNXKXUNASBBLU-UHFFFAOYSA-N

Data  1 KI  5 IC50

PDB links: 1 PDB ID matches this monomer.

  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 6 hits for monomerid = 26521   

TargetDihydrofolate reductase(Bacillus anthracis)
University Of Connecticut

Curated by ChEMBL
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
TargetDihydrofolate reductase(Homo sapiens (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 DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Bacillus anthracis)
University Of Connecticut

Curated by ChEMBL
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
TargetDihydrofolate reductase(Candida albicans)
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 susbtrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Bacillus anthracis)
University Of Connecticut

Curated by ChEMBL
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
TargetDihydrofolate reductase(Homo sapiens (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 susbtrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed