BDBM18490 6-methyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]pyrimidine-2,4-diamine::JMC517532 Compound 4::Propargyl-linked, 5::Propargyl-substituted antifolate, 7::TMP derivative with propargyl-based linker, 16

SMILES COc1cc(CC#Cc2c(C)nc(N)nc2N)cc(OC)c1OC

InChI Key InChIKey=WJIMEKODTQDGFJ-UHFFFAOYSA-N

Data  1 KI  11 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 12 hits for monomerid = 18490   

TargetDihydrofolate reductase(Bacillus anthracis)
University Of Connecticut

Curated by ChEMBL
LigandPNGBDBM18490(6-methyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-...)
Affinity DataKi:  1.25E+3nMAssay Description:Inhibition of wild type Bacillus anthracis recombinant DHFRMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Dartmouth College

LigandPNGBDBM18490(6-methyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-...)
Affinity DataIC50:  880nMpH: 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
LigandPNGBDBM18490(6-methyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-...)
Affinity DataIC50:  3.70E+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(Homo sapiens (Human))
University Of Connecticut

LigandPNGBDBM18490(6-methyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-...)
Affinity DataIC50:  400nMAssay 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

LigandPNGBDBM18490(6-methyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-...)
Affinity DataIC50:  400nMT: 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
LigandPNGBDBM18490(6-methyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-...)
Affinity DataIC50:  3.70E+3nMAssay Description:Inhibition of wild type Bacillus anthracis recombinant DHFRMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Candida Glabrata)
University Of Connecticut

LigandPNGBDBM18490(6-methyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-...)
Affinity DataIC50:  17nMAssay 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

LigandPNGBDBM18490(6-methyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-...)
Affinity DataIC50:  400nMAssay 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

LigandPNGBDBM18490(6-methyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-...)
Affinity DataIC50:  400nMAssay 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
LigandPNGBDBM18490(6-methyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-...)
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
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Cryptosporidium hominis)
Dartmouth College

LigandPNGBDBM18490(6-methyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-...)
Affinity DataIC50:  1.02E+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(Candida Glabrata)
University Of Connecticut

LigandPNGBDBM18490(6-methyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-...)
Affinity DataIC50:  17nMT: 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