BDBM18492 6-methyl-5-[3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimidine-2,4-diamine::JMC517532 Compound 8::Propargyl-linked, 6::Propargyl-substituted antifolate, 8::TMP derivative with propargyl-based linker, 21

SMILES COc1cc(cc(OC)c1OC)C(C)C#Cc1c(C)nc(N)nc1N

InChI Key InChIKey=RUQVXLIOJPKNCM-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 = 18492   

TargetDihydrofolate reductase(Bacillus anthracis)
University Of Connecticut

Curated by ChEMBL
LigandPNGBDBM18492(6-methyl-5-[3-(3,4,5-trimethoxyphenyl)but-1-yn-1-y...)
Affinity DataKi:  1.02E+4nMAssay 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

LigandPNGBDBM18492(6-methyl-5-[3-(3,4,5-trimethoxyphenyl)but-1-yn-1-y...)
Affinity DataIC50:  120nMpH: 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
LigandPNGBDBM18492(6-methyl-5-[3-(3,4,5-trimethoxyphenyl)but-1-yn-1-y...)
Affinity DataIC50:  3.03E+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
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
University of Connecticut

LigandPNGBDBM18492(6-methyl-5-[3-(3,4,5-trimethoxyphenyl)but-1-yn-1-y...)
Affinity DataIC50:  1.38E+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

LigandPNGBDBM18492(6-methyl-5-[3-(3,4,5-trimethoxyphenyl)but-1-yn-1-y...)
Affinity DataIC50:  1.38E+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
LigandPNGBDBM18492(6-methyl-5-[3-(3,4,5-trimethoxyphenyl)but-1-yn-1-y...)
Affinity DataIC50:  3.03E+4nMAssay 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

LigandPNGBDBM18492(6-methyl-5-[3-(3,4,5-trimethoxyphenyl)but-1-yn-1-y...)
Affinity DataIC50:  25nMAssay 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

LigandPNGBDBM18492(6-methyl-5-[3-(3,4,5-trimethoxyphenyl)but-1-yn-1-y...)
Affinity DataIC50:  1.38E+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

LigandPNGBDBM18492(6-methyl-5-[3-(3,4,5-trimethoxyphenyl)but-1-yn-1-y...)
Affinity DataIC50:  1.38E+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
LigandPNGBDBM18492(6-methyl-5-[3-(3,4,5-trimethoxyphenyl)but-1-yn-1-y...)
Affinity DataIC50:  110nMAssay 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

LigandPNGBDBM18492(6-methyl-5-[3-(3,4,5-trimethoxyphenyl)but-1-yn-1-y...)
Affinity DataIC50:  169nMpH: 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

LigandPNGBDBM18492(6-methyl-5-[3-(3,4,5-trimethoxyphenyl)but-1-yn-1-y...)
Affinity DataIC50:  25nMT: 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