BDBM26518 5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine::Propargyl inhibitor, 16::Propargyl-linked, 10

SMILES COc1ccc(OC)c(CC#Cc2c(C)nc(N)nc2N)c1

InChI Key InChIKey=OEYXETAXVXPYMF-UHFFFAOYSA-N

Data  1 KI  7 IC50

  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 8 hits for monomerid = 26518   

TargetDihydrofolate reductase(Bacillus anthracis)
University Of Connecticut

Curated by ChEMBL
LigandPNGBDBM26518(5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-methyl...)
Affinity DataKi:  360nMAssay Description:Inhibition of wild type Bacillus anthracis recombinant DHFRMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
University of Connecticut

LigandPNGBDBM26518(5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-methyl...)
Affinity DataIC50:  1.30E+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
TargetDihydrofolate reductase(Homo sapiens (Human))
University of Connecticut

LigandPNGBDBM26518(5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-methyl...)
Affinity DataIC50:  1.30E+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 DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Bacillus anthracis)
University Of Connecticut

Curated by ChEMBL
LigandPNGBDBM26518(5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-methyl...)
Affinity DataIC50:  1.06E+3nMAssay Description:Inhibition of wild type Bacillus anthracis recombinant DHFRMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
University of Connecticut

LigandPNGBDBM26518(5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-methyl...)
Affinity DataIC50:  1.30E+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(Candida albicans)
University Of Connecticut

Curated by ChEMBL
LigandPNGBDBM26518(5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-methyl...)
Affinity DataIC50:  410nMAssay 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
LigandPNGBDBM26518(5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-methyl...)
Affinity DataIC50:  1.30E+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 Glabrata)
University of Connecticut

LigandPNGBDBM26518(5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-methyl...)
Affinity DataIC50:  32nMT: 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 DepthDetails ArticlePubMed