BDBM18491 5-[3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimidine-2,4-diamine::JMC517532 Compound 5::Propargyl-linked, 2::TMP derivative with propargyl-based linker, 20

SMILES COc1cc(cc(OC)c1OC)C(C)C#Cc1cnc(N)nc1N

InChI Key InChIKey=SZUKDSREWMWEHD-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 = 18491   

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

LigandPNGBDBM18491(5-[3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimid...)
Affinity DataIC50:  5.30E+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
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Dartmouth College

LigandPNGBDBM18491(5-[3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimid...)
Affinity DataIC50:  3.10E+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

LigandPNGBDBM18491(5-[3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimid...)
Affinity DataIC50:  4.80E+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
LigandPNGBDBM18491(5-[3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimid...)
Affinity DataIC50:  180nMAssay 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

LigandPNGBDBM18491(5-[3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimid...)
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

LigandPNGBDBM18491(5-[3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimid...)
Affinity DataIC50:  36nMT: 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

LigandPNGBDBM18491(5-[3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimid...)
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

LigandPNGBDBM18491(5-[3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimid...)
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