BDBM50329608 6-methyl-5-(3-methyl-3-(3,4,5-trimethoxyphenyl)but-1-ynyl)pyrimidine-2,4-diamine::6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimidine-2,4-diamine::CHEMBL1230365::Propargyl-substituted antifolate, 14

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

InChI Key InChIKey=FJNFXXGWYVMQNA-UHFFFAOYSA-N

Data  1 KI  5 IC50

PDB links: 4 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50329608   

TargetDihydrofolate reductase(Bacillus anthracis)
University Of Connecticut

Curated by ChEMBL
LigandPNGBDBM50329608(6-methyl-5-(3-methyl-3-(3,4,5-trimethoxyphenyl)but...)
Affinity DataKi:  4.28E+3nMAssay Description:Inhibition of wild type Bacillus anthracis recombinant DHFRMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
University Of Connecticut

LigandPNGBDBM50329608(6-methyl-5-(3-methyl-3-(3,4,5-trimethoxyphenyl)but...)
Affinity DataIC50:  290nMAssay 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(Candida albicans)
University Of Connecticut

Curated by ChEMBL
LigandPNGBDBM50329608(6-methyl-5-(3-methyl-3-(3,4,5-trimethoxyphenyl)but...)
Affinity DataIC50:  33nMAssay Description:Inhibition of Candida albicans DHFRMore data for this Ligand-Target Pair
TargetDihydrofolate reductase(Bacillus anthracis)
University Of Connecticut

Curated by ChEMBL
LigandPNGBDBM50329608(6-methyl-5-(3-methyl-3-(3,4,5-trimethoxyphenyl)but...)
Affinity DataIC50:  1.27E+4nMAssay Description:Inhibition of wild type Bacillus anthracis recombinant DHFRMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
University Of Connecticut

LigandPNGBDBM50329608(6-methyl-5-(3-methyl-3-(3,4,5-trimethoxyphenyl)but...)
Affinity DataIC50:  290nMAssay Description:Inhibition of human DHFRMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Candida Glabrata)
University Of Connecticut

LigandPNGBDBM50329608(6-methyl-5-(3-methyl-3-(3,4,5-trimethoxyphenyl)but...)
Affinity DataIC50:  11nMAssay 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