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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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50110776   

TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
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 K1CB1 DHFR double-mutant (C59R/S10)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
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 double DHFR mutant (C59R/S108N)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
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 triple DHFR mutant (C59R/S108N/I164L)/More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
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 wtDHFRMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
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 with quadruple DHFR mutant (N51I/C59R/S108N/I164L) More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
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 double DHFR mutation (C59R/S108N) relative to trimethoprimMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
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 triple DHFR mutant (C59R/S108N/I164L) relative to trimethoprimMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
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 relative to trimethoprim against Plasmodium falciparum TM4/8.2 wtDHFRMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
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 Depth
Date in BDB:
12/31/2018
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
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 Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
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 Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetDihydrofolate reductase(Salmonella 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 Depth
Date in BDB:
5/19/2013
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
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 Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
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 Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
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 Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
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 Depth
Date in BDB:
5/19/2013
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
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 Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
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 Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetDihydrofolate reductase(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 Depth
Date in BDB:
5/19/2013
Entry Details Article
PubMed