BDBM50110756 5-(4-Benzyloxy-3,5-dimethoxy-benzyl)-pyrimidine-2,4-diamine::CHEMBL279509

SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCc1ccccc1

InChI Key InChIKey=NEBFMAAUKXSAAC-UHFFFAOYSA-N

Data  3 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50110756   

TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
National Center For Genetic Engineering And Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50110756(5-(4-Benzyloxy-3,5-dimethoxy-benzyl)-pyrimidine-2,...)
Affinity DataKi:  4.20nMAssay Description:Inhibition of the wild-type dihydrofolate reductase (DHFR)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
National Center For Genetic Engineering And Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50110756(5-(4-Benzyloxy-3,5-dimethoxy-benzyl)-pyrimidine-2,...)
Affinity DataKi:  61.9nMAssay Description:Inhibition of the S108N mutant of dihydrofolate reductase (DHFR)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
National Center For Genetic Engineering And Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50110756(5-(4-Benzyloxy-3,5-dimethoxy-benzyl)-pyrimidine-2,...)
Affinity DataKi:  71.9nMAssay Description:Inhibition of the C59R+S108N mutant of dihydrofolate reductase (DHFR)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
National Center For Genetic Engineering And Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50110756(5-(4-Benzyloxy-3,5-dimethoxy-benzyl)-pyrimidine-2,...)
Affinity DataIC50:  3.01E+4nMAssay Description:Antiplasmodial activity (IC50) against Plasmodium falciparum Clone with mutant enzyme C59R+S108N- pfDihydrofolate reductase (K1CB1)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed