BDBM50138699 5-(3-(benzyloxy)-4-methoxybenzyl)pyrimidine-2,4-diamine::5-(3-Benzyloxy-4-methoxy-benzyl)-pyrimidine-2,4-diamine::CHEMBL291931

SMILES COc1ccc(Cc2cnc(N)nc2N)cc1OCc1ccccc1

InChI Key InChIKey=XARRNBRDTOCYPU-UHFFFAOYSA-N

Data  8 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 16 hits for monomerid = 50138699   

TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50138699(5-(3-Benzyloxy-4-methoxy-benzyl)-pyrimidine-2,4-di...)
Affinity DataIC50: 250nMAssay Description:In vitro antimalarial activity relative to trimethoprim 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
LigandPNGBDBM50138699(5-(3-Benzyloxy-4-methoxy-benzyl)-pyrimidine-2,4-di...)
Affinity DataIC50: 2.62E+3nMAssay 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
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50138699(5-(3-Benzyloxy-4-methoxy-benzyl)-pyrimidine-2,4-di...)
Affinity DataIC50: 50nMAssay 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
LigandPNGBDBM50138699(5-(3-Benzyloxy-4-methoxy-benzyl)-pyrimidine-2,4-di...)
Affinity DataIC50: 30nMAssay 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
LigandPNGBDBM50138699(5-(3-Benzyloxy-4-methoxy-benzyl)-pyrimidine-2,4-di...)
Affinity DataIC50: 1.75E+4nMAssay 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
LigandPNGBDBM50138699(5-(3-Benzyloxy-4-methoxy-benzyl)-pyrimidine-2,4-di...)
Affinity DataIC50: 5.73E+3nMAssay 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
LigandPNGBDBM50138699(5-(3-Benzyloxy-4-methoxy-benzyl)-pyrimidine-2,4-di...)
Affinity DataIC50: 3.83E+3nMAssay 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
LigandPNGBDBM50138699(5-(3-Benzyloxy-4-methoxy-benzyl)-pyrimidine-2,4-di...)
Affinity DataIC50: 5.00E+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
TargetDihydrofolate reductase(Escherichia coli)
Beijing Medical University

Curated by ChEMBL
LigandPNGBDBM50138699(5-(3-Benzyloxy-4-methoxy-benzyl)-pyrimidine-2,4-di...)
Affinity DataKi:  0.0977nMAssay 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
LigandPNGBDBM50138699(5-(3-Benzyloxy-4-methoxy-benzyl)-pyrimidine-2,4-di...)
Affinity DataKi:  7.20nMAssay 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
LigandPNGBDBM50138699(5-(3-Benzyloxy-4-methoxy-benzyl)-pyrimidine-2,4-di...)
Affinity DataKi:  22nMAssay 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
TargetDihydrofolate reductase(Lactobacillus casei)
Pomona College

Curated by ChEMBL
LigandPNGBDBM50138699(5-(3-Benzyloxy-4-methoxy-benzyl)-pyrimidine-2,4-di...)
Affinity DataKi:  123nMAssay 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
LigandPNGBDBM50138699(5-(3-Benzyloxy-4-methoxy-benzyl)-pyrimidine-2,4-di...)
Affinity DataKi:  143nMAssay 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
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50138699(5-(3-Benzyloxy-4-methoxy-benzyl)-pyrimidine-2,4-di...)
Affinity DataKi:  630nMAssay 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
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50138699(5-(3-Benzyloxy-4-methoxy-benzyl)-pyrimidine-2,4-di...)
Affinity DataKi:  1.13E+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
TargetDihydrofolate reductase(Chicken)
Pomona College

Curated by ChEMBL
LigandPNGBDBM50138699(5-(3-Benzyloxy-4-methoxy-benzyl)-pyrimidine-2,4-di...)
Affinity DataKi:  1.82E+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