BDBM18489 5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]pyrimidine-2,4-diamine::JMC517532 Compound 3::Propargyl-linked, 1::TMP derivative with propargyl-based linker, 14

SMILES COc1cc(CC#Cc2cnc(N)nc2N)cc(OC)c1OC

InChI Key InChIKey=WIXBZQPHDDQZMI-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 = 18489   

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

LigandPNGBDBM18489(5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]pyrimi...)
Affinity DataIC50:  8.61E+4nMpH: 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

LigandPNGBDBM18489(5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]pyrimi...)
Affinity DataIC50:  2.17E+4nMpH: 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

LigandPNGBDBM18489(5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]pyrimi...)
Affinity DataIC50:  2.30E+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 albicans)
University Of Connecticut

Curated by ChEMBL
LigandPNGBDBM18489(5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]pyrimi...)
Affinity DataIC50:  820nMAssay 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

LigandPNGBDBM18489(5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]pyrimi...)
Affinity DataIC50:  1.46E+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

LigandPNGBDBM18489(5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]pyrimi...)
Affinity DataIC50:  22nMT: 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

LigandPNGBDBM18489(5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]pyrimi...)
Affinity DataIC50:  1.46E+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

LigandPNGBDBM18489(5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]pyrimi...)
Affinity DataIC50:  1.46E+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