BDBM50110776 5-(4-(benzyloxy)-3-methoxybenzyl)pyrimidine-2,4-diamine::5-(4-Benzyloxy-3-methoxy-benzyl)-pyrimidine-2,4-diamine::CHEMBL22146

SMILES COc1cc(Cc2cnc(N)nc2N)ccc1OCc1ccccc1

InChI Key InChIKey=KRZXDTYOZAQOGL-UHFFFAOYSA-N

Data  11 KI  8 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50110776   

TargetDihydrofolate reductase(Escherichia coli)
Beijing Medical University

Curated by ChEMBL
LigandPNGBDBM50110776(5-(4-(benzyloxy)-3-methoxybenzyl)pyrimidine-2,4-di...)
Affinity DataKi:  0.372nMAssay Description:Apparent inhibitory (log 1/Ki) activity against Escherichia coli 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
LigandPNGBDBM50110776(5-(4-(benzyloxy)-3-methoxybenzyl)pyrimidine-2,4-di...)
Affinity DataKi:  2.20nMAssay 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
LigandPNGBDBM50110776(5-(4-(benzyloxy)-3-methoxybenzyl)pyrimidine-2,4-di...)
Affinity DataKi:  2.20nMAssay Description:Inhibition of the wild-type dihydrofolate reductase (DHFR)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Salmonella enterica subsp. enterica serovar Typhi)
Pomona College

Curated by ChEMBL
LigandPNGBDBM50110776(5-(4-(benzyloxy)-3-methoxybenzyl)pyrimidine-2,4-di...)
Affinity DataKi:  30nMAssay Description:Inhibitory activity against Escherichia coli 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
LigandPNGBDBM50110776(5-(4-(benzyloxy)-3-methoxybenzyl)pyrimidine-2,4-di...)
Affinity DataKi:  34.9nMAssay 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
LigandPNGBDBM50110776(5-(4-(benzyloxy)-3-methoxybenzyl)pyrimidine-2,4-di...)
Affinity DataKi:  60.7nMAssay Description:Inhibitory activity against double mutant dihydrofolate reductase (C59R+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
LigandPNGBDBM50110776(5-(4-(benzyloxy)-3-methoxybenzyl)pyrimidine-2,4-di...)
Affinity DataKi:  60.7nMAssay Description:Inhibition of the C59R+S108N mutant of dihydrofolate reductase (DHFR)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Lactobacillus casei)
Pomona College

Curated by ChEMBL
LigandPNGBDBM50110776(5-(4-(benzyloxy)-3-methoxybenzyl)pyrimidine-2,4-di...)
Affinity DataKi:  316nMAssay 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
LigandPNGBDBM50110776(5-(4-(benzyloxy)-3-methoxybenzyl)pyrimidine-2,4-di...)
Affinity DataKi:  1.38E+3nMAssay 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
LigandPNGBDBM50110776(5-(4-(benzyloxy)-3-methoxybenzyl)pyrimidine-2,4-di...)
Affinity DataKi:  1.97E+3nMAssay 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
LigandPNGBDBM50110776(5-(4-(benzyloxy)-3-methoxybenzyl)pyrimidine-2,4-di...)
Affinity DataKi:  1.91E+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
LigandPNGBDBM50110776(5-(4-(benzyloxy)-3-methoxybenzyl)pyrimidine-2,4-di...)
Affinity DataIC50: >1.00E+5nMAssay 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
LigandPNGBDBM50110776(5-(4-(benzyloxy)-3-methoxybenzyl)pyrimidine-2,4-di...)
Affinity DataIC50: >1.00E+5nMAssay 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
LigandPNGBDBM50110776(5-(4-(benzyloxy)-3-methoxybenzyl)pyrimidine-2,4-di...)
Affinity DataIC50:  2.56E+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
LigandPNGBDBM50110776(5-(4-(benzyloxy)-3-methoxybenzyl)pyrimidine-2,4-di...)
Affinity DataIC50:  4.66E+3nMAssay 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
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
National Center For Genetic Engineering And Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50110776(5-(4-(benzyloxy)-3-methoxybenzyl)pyrimidine-2,4-di...)
Affinity DataIC50:  700nMAssay 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
LigandPNGBDBM50110776(5-(4-(benzyloxy)-3-methoxybenzyl)pyrimidine-2,4-di...)
Affinity DataIC50: >730nMAssay 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
LigandPNGBDBM50110776(5-(4-(benzyloxy)-3-methoxybenzyl)pyrimidine-2,4-di...)
Affinity DataIC50:  3.80E+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
LigandPNGBDBM50110776(5-(4-(benzyloxy)-3-methoxybenzyl)pyrimidine-2,4-di...)
Affinity DataIC50:  210nMAssay 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