BDBM18495 5-[3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]pyrimidine-2,4-diamine::JMC517532 Compound 7::Propargyl-linked, 4::TMP derivative with propargyl-based linker, 27

SMILES COC(C#Cc1cnc(N)nc1N)c1cc(OC)c(OC)c(OC)c1

InChI Key InChIKey=NNNYFCIIRWDOAU-UHFFFAOYSA-N

Data  8 IC50

  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 8 hits for monomerid = 18495   

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

LigandPNGBDBM18495(5-[3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1...)
Affinity DataIC50:  1.33E+5nMpH: 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 DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Dartmouth College

LigandPNGBDBM18495(5-[3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1...)
Affinity DataIC50:  9.80E+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 DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Bacillus anthracis)
University of Connecticut

LigandPNGBDBM18495(5-[3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1...)
Affinity DataIC50:  1.09E+5nMpH: 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
LigandPNGBDBM18495(5-[3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1...)
Affinity DataIC50:  2.50E+3nMAssay 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

LigandPNGBDBM18495(5-[3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1...)
Affinity DataIC50:  1.16E+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(Candida Glabrata)
University of Connecticut

LigandPNGBDBM18495(5-[3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1...)
Affinity DataIC50:  450nMT: 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(Homo sapiens (Human))
University of Connecticut

LigandPNGBDBM18495(5-[3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1...)
Affinity DataIC50:  1.16E+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

LigandPNGBDBM18495(5-[3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1...)
Affinity DataIC50:  1.16E+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