BDBM18496 5-[3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine::JMC517532 Compound 10::Propargyl-linked, 8::Propargyl-substituted antifolate, 10::TMP derivative with propargyl-based linker, 28

SMILES COC(C#Cc1c(C)nc(N)nc1N)c1cc(OC)c(OC)c(OC)c1

InChI Key InChIKey=WGUCJULKGMTPOP-UHFFFAOYSA-N

Data  1 KI  11 IC50

PDB links: 2 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 18496   

TargetDihydrofolate reductase(Bacillus anthracis)
University Of Connecticut

Curated by ChEMBL
LigandPNGBDBM18496(5-[3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1...)
Affinity DataKi:  9.81E+3nMAssay Description:Inhibition of wild type Bacillus anthracis recombinant DHFRMore data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Dartmouth College

LigandPNGBDBM18496(5-[3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1...)
Affinity DataIC50:  550nMpH: 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

Curated by ChEMBL
LigandPNGBDBM18496(5-[3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1...)
Affinity DataIC50:  2.91E+4nMpH: 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
TargetDihydrofolate reductase(Homo sapiens (Human))
University of Connecticut

LigandPNGBDBM18496(5-[3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1...)
Affinity DataIC50:  1.22E+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

LigandPNGBDBM18496(5-[3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1...)
Affinity DataIC50:  1.22E+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
LigandPNGBDBM18496(5-[3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1...)
Affinity DataIC50:  2.91E+4nMAssay Description:Inhibition of wild type Bacillus anthracis recombinant DHFRMore data for this Ligand-Target Pair
TargetDihydrofolate reductase(Candida Glabrata)
University of Connecticut

LigandPNGBDBM18496(5-[3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1...)
Affinity DataIC50:  30nMAssay Description:Enzyme activity assay were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over 5 min.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
University of Connecticut

LigandPNGBDBM18496(5-[3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1...)
Affinity DataIC50:  1.22E+3nMAssay Description:Enzyme activity assay were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over 5 min.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
University of Connecticut

LigandPNGBDBM18496(5-[3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1...)
Affinity DataIC50:  1.22E+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
LigandPNGBDBM18496(5-[3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1...)
Affinity DataIC50:  320nMAssay 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
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Cryptosporidium hominis)
Dartmouth College

LigandPNGBDBM18496(5-[3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1...)
Affinity DataIC50:  5.00E+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(Candida Glabrata)
University of Connecticut

LigandPNGBDBM18496(5-[3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1...)
Affinity DataIC50:  30nMT: 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