BDBM50110758 5-(4-(benzyloxy)-3-ethoxybenzyl)pyrimidine-2,4-diamine::5-(4-Benzyloxy-3-ethoxy-benzyl)-pyrimidine-2,4-diamine::CHEMBL21395

SMILES CCOc1cc(Cc2cnc(N)nc2N)ccc1OCc1ccccc1

InChI Key InChIKey=QBQZTCRZECEEGK-UHFFFAOYSA-N

Data  10 KI  8 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50110758   

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

Curated by ChEMBL
LigandPNGBDBM50110758(5-(4-(benzyloxy)-3-ethoxybenzyl)pyrimidine-2,4-dia...)
Affinity DataKi:  0.800nMAssay Description:Inhibitory activity against wild-type dihydrofolate reductase (S108N 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
LigandPNGBDBM50110758(5-(4-(benzyloxy)-3-ethoxybenzyl)pyrimidine-2,4-dia...)
Affinity DataKi:  0.900nMAssay 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
LigandPNGBDBM50110758(5-(4-(benzyloxy)-3-ethoxybenzyl)pyrimidine-2,4-dia...)
Affinity DataKi:  7.10nMAssay 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
LigandPNGBDBM50110758(5-(4-(benzyloxy)-3-ethoxybenzyl)pyrimidine-2,4-dia...)
Affinity DataKi:  9.70nMAssay 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
LigandPNGBDBM50110758(5-(4-(benzyloxy)-3-ethoxybenzyl)pyrimidine-2,4-dia...)
Affinity DataKi:  9.70nMAssay Description:Inhibitory activity against double mutant dihydrofolate reductase (C59R+S108N DHFR)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase type 1(Escherichia coli)
Pomona College

Curated by ChEMBL
LigandPNGBDBM50110758(5-(4-(benzyloxy)-3-ethoxybenzyl)pyrimidine-2,4-dia...)
Affinity DataKi:  45nMAssay Description:Inhibitory activity against Escherichia coli dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Lactobacillus casei)
Pomona College

Curated by ChEMBL
LigandPNGBDBM50110758(5-(4-(benzyloxy)-3-ethoxybenzyl)pyrimidine-2,4-dia...)
Affinity DataKi:  309nMAssay Description:Inhibitory activity against Lactobacillus casei dihydrofolate reductaseMore 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
LigandPNGBDBM50110758(5-(4-(benzyloxy)-3-ethoxybenzyl)pyrimidine-2,4-dia...)
Affinity DataKi:  431nMAssay Description:Inhibitory activity against quadruple mutant dihydrofolate reductase (N51I C59R S108N I164L 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
LigandPNGBDBM50110758(5-(4-(benzyloxy)-3-ethoxybenzyl)pyrimidine-2,4-dia...)
Affinity DataKi:  570nMAssay Description:Inhibitory activity against triple mutant dihydrofolate reductase (C59R S108 NI164L DHFR)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Gallus gallus (Chicken))
Pomona College

Curated by ChEMBL
LigandPNGBDBM50110758(5-(4-(benzyloxy)-3-ethoxybenzyl)pyrimidine-2,4-dia...)
Affinity DataKi:  1.82E+4nMAssay Description:Inhibitory activity against chicken liver dihydrofolate reductaseMore 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
LigandPNGBDBM50110758(5-(4-(benzyloxy)-3-ethoxybenzyl)pyrimidine-2,4-dia...)
Affinity DataIC50:  1.65E+4nMAssay Description:In vitro antimalarial activity against Plasmodium falciparum Vl/S strain with quadruple mutation (N51I + C59R + S108N + I164L) DHFRMore 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
LigandPNGBDBM50110758(5-(4-(benzyloxy)-3-ethoxybenzyl)pyrimidine-2,4-dia...)
Affinity DataIC50:  1.44E+4nMAssay Description:In vitro antimalarial activity against Plasmodium falciparum Csl-2 strain with triple mutation (C59R + S108N + I164L) DHFRMore 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
LigandPNGBDBM50110758(5-(4-(benzyloxy)-3-ethoxybenzyl)pyrimidine-2,4-dia...)
Affinity DataIC50:  1.66E+4nMAssay Description:In vitro antimalarial activity against Plasmodium falciparum K1CB1 strain with double mutation (C59R + S108N) DHFRMore 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
LigandPNGBDBM50110758(5-(4-(benzyloxy)-3-ethoxybenzyl)pyrimidine-2,4-dia...)
Affinity DataIC50:  120nMAssay Description:In vitro antimalarial activity against Plasmodium falciparum Csl-2 strain with triple mutation (C59R + S108N + I164L) DHFR, relative to trimethoprimMore 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
LigandPNGBDBM50110758(5-(4-(benzyloxy)-3-ethoxybenzyl)pyrimidine-2,4-dia...)
Affinity DataIC50:  120nMAssay Description:In vitro antimalarial activity against Plasmodium falciparum K1CB1 strain with double mutation (C59R + S108N) DHFR, relative to trimethoprimMore 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
LigandPNGBDBM50110758(5-(4-(benzyloxy)-3-ethoxybenzyl)pyrimidine-2,4-dia...)
Affinity DataIC50:  70nMAssay Description:In vitro antimalarial activity against Plasmodium falciparum TM4/8.2 strain with wild type DHFR, relative to trimethoprimMore 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
LigandPNGBDBM50110758(5-(4-(benzyloxy)-3-ethoxybenzyl)pyrimidine-2,4-dia...)
Affinity DataIC50:  1.66E+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
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
National Center For Genetic Engineering And Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50110758(5-(4-(benzyloxy)-3-ethoxybenzyl)pyrimidine-2,4-dia...)
Affinity DataIC50:  470nMAssay Description:In vitro antimalarial activity against Plasmodium falciparum TM4/8.2 strain with wild type DHFRMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed