BDBM50138701 6-Methyl-5-(3,4,5-trimethoxy-benzyl)-pyrimidine-2,4-diamine::6-methyl-5-(3,4,5-trimethoxybenzyl)pyrimidine-2,4-diamine::CHEMBL325533

SMILES COc1cc(Cc2c(C)nc(N)nc2N)cc(OC)c1OC

InChI Key InChIKey=KUPCMNHSRONILW-UHFFFAOYSA-N

Data  4 KI  12 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 16 hits for monomerid = 50138701   

TargetDihydrofolate reductase(Escherichia coli)
TBA

Curated by ChEMBL
LigandPNGBDBM50138701(6-Methyl-5-(3,4,5-trimethoxy-benzyl)-pyrimidine-2,...)
Affinity DataIC50: 100nMAssay Description:Inhibition against dihydrofolate reductase enzyme of Escherichia coliMore 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
LigandPNGBDBM50138701(6-Methyl-5-(3,4,5-trimethoxy-benzyl)-pyrimidine-2,...)
Affinity DataIC50: 3.41E+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
LigandPNGBDBM50138701(6-Methyl-5-(3,4,5-trimethoxy-benzyl)-pyrimidine-2,...)
Affinity DataIC50: 760nMAssay 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
LigandPNGBDBM50138701(6-Methyl-5-(3,4,5-trimethoxy-benzyl)-pyrimidine-2,...)
Affinity DataIC50: 500nMAssay 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
LigandPNGBDBM50138701(6-Methyl-5-(3,4,5-trimethoxy-benzyl)-pyrimidine-2,...)
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
LigandPNGBDBM50138701(6-Methyl-5-(3,4,5-trimethoxy-benzyl)-pyrimidine-2,...)
Affinity DataIC50: 1.00E+5nMAssay 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
LigandPNGBDBM50138701(6-Methyl-5-(3,4,5-trimethoxy-benzyl)-pyrimidine-2,...)
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
LigandPNGBDBM50138701(6-Methyl-5-(3,4,5-trimethoxy-benzyl)-pyrimidine-2,...)
Affinity DataIC50: 2.27E+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
LigandPNGBDBM50138701(6-Methyl-5-(3,4,5-trimethoxy-benzyl)-pyrimidine-2,...)
Affinity DataIC50: 9.08E+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 berghei (strain Anka))
TBA

Curated by ChEMBL
LigandPNGBDBM50138701(6-Methyl-5-(3,4,5-trimethoxy-benzyl)-pyrimidine-2,...)
Affinity DataIC50: 340nMAssay Description:Compound was tested for its inhibition against dihydrofolate reductase enzyme of Plasmodium bergheiMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/19/2013
Entry Details Article
PubMed
TargetDihydrofolate reductase(Rat)
TBA

Curated by ChEMBL
LigandPNGBDBM50138701(6-Methyl-5-(3,4,5-trimethoxy-benzyl)-pyrimidine-2,...)
Affinity DataIC50: 4.00E+5nMAssay Description:Inhibition against dihydrofolate reductase enzyme of rat liverMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/19/2013
Entry Details Article
PubMed
TargetDihydrofolate reductase(Escherichia coli)
TBA

Curated by ChEMBL
LigandPNGBDBM50138701(6-Methyl-5-(3,4,5-trimethoxy-benzyl)-pyrimidine-2,...)
Affinity DataIC50: 100nMAssay Description:Compound was tested for inhibition of Escherichia coli Dihydrofolate reductase.More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/21/2020
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50138701(6-Methyl-5-(3,4,5-trimethoxy-benzyl)-pyrimidine-2,...)
Affinity DataKi:  38.2nMAssay 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
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50138701(6-Methyl-5-(3,4,5-trimethoxy-benzyl)-pyrimidine-2,...)
Affinity DataKi:  520nMAssay 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
LigandPNGBDBM50138701(6-Methyl-5-(3,4,5-trimethoxy-benzyl)-pyrimidine-2,...)
Affinity DataKi:  1.36E+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
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50138701(6-Methyl-5-(3,4,5-trimethoxy-benzyl)-pyrimidine-2,...)
Affinity DataKi:  1.63E+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