BDBM26520 5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-propylpyrimidine-2,4-diamine::Propargyl inhibitor, 18

SMILES CCCc1nc(N)nc(N)c1C#CCc1cc(OC)ccc1OC

InChI Key InChIKey=VSWSZIRWLYCVMG-UHFFFAOYSA-N

Data  4 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 26520   

TargetDihydrofolate reductase(Bacillus anthracis)
University of Connecticut

LigandPNGBDBM26520(5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-propyl...)
Affinity DataIC50:  5.50E+3nMpH: 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 DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Candida albicans)
University Of Connecticut

Curated by ChEMBL
LigandPNGBDBM26520(5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-propyl...)
Affinity DataIC50:  45nMAssay 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(Homo sapiens (Human))
University Of Connecticut

Curated by ChEMBL
LigandPNGBDBM26520(5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-propyl...)
Affinity DataIC50:  1.18E+3nMAssay Description:Inhibition of human DHFR assessed as rate of NADPH consumption using dihydrofolate as susbtrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
University Of Connecticut

Curated by ChEMBL
LigandPNGBDBM26520(5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-propyl...)
Affinity DataIC50:  1.18E+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 DepthDetails ArticlePubMed