BDBM50138698 5-(4-Heptyloxy-benzyl)-pyrimidine-2,4-diamine::CHEMBL30937

SMILES CCCCCCCOc1ccc(Cc2cnc(N)nc2N)cc1

InChI Key InChIKey=CIFOWUCVXDSKSU-UHFFFAOYSA-N

Data  12 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50138698   

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

Curated by ChEMBL
LigandPNGBDBM50138698(5-(4-Heptyloxy-benzyl)-pyrimidine-2,4-diamine | CH...)
Affinity DataKi:  17.8nMAssay 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
LigandPNGBDBM50138698(5-(4-Heptyloxy-benzyl)-pyrimidine-2,4-diamine | CH...)
Affinity DataKi:  196nMAssay 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(Salmonella typhi)
Pomona College

Curated by ChEMBL
LigandPNGBDBM50138698(5-(4-Heptyloxy-benzyl)-pyrimidine-2,4-diamine | CH...)
Affinity DataKi:  794nMAssay 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
LigandPNGBDBM50138698(5-(4-Heptyloxy-benzyl)-pyrimidine-2,4-diamine | CH...)
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
LigandPNGBDBM50138698(5-(4-Heptyloxy-benzyl)-pyrimidine-2,4-diamine | CH...)
Affinity DataKi:  2.21E+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(Escherichia coli)
Uniroyal Chemical

Curated by ChEMBL
LigandPNGBDBM50138698(5-(4-Heptyloxy-benzyl)-pyrimidine-2,4-diamine | CH...)
Affinity DataKi:  2.51E+3nMAssay Description:Inhibition constant against binding of Escherichia coli dihydrofolate reductaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/2/2019
Entry Details Article
PubMed
TargetDihydrofolate reductase(Escherichia coli)
Uniroyal Chemical

Curated by ChEMBL
LigandPNGBDBM50138698(5-(4-Heptyloxy-benzyl)-pyrimidine-2,4-diamine | CH...)
Affinity DataKi:  2.51E+3nMAssay Description:Inhibitory activity against dihydrofolate reductase (DHFR) from Escherichia coli (expressed as log 1/Kiapp)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/6/2018
Entry Details Article
PubMed
TargetDihydrofolate reductase(Escherichia coli)
Uniroyal Chemical

Curated by ChEMBL
LigandPNGBDBM50138698(5-(4-Heptyloxy-benzyl)-pyrimidine-2,4-diamine | CH...)
Affinity DataKi:  2.51E+3nMAssay 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
TargetDihydrofolate reductase(Bovine)
TBA

Curated by ChEMBL
LigandPNGBDBM50138698(5-(4-Heptyloxy-benzyl)-pyrimidine-2,4-diamine | CH...)
Affinity DataKi:  3.55E+3nMpH: 7.2Assay Description:Inhibitory activity against bovine liver Dihydrofolate reductase at pH 7.2.More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/5/2018
Entry Details Article
PubMed
TargetDihydrofolate reductase(Lactobacillus casei)
Pomona College

Curated by ChEMBL
LigandPNGBDBM50138698(5-(4-Heptyloxy-benzyl)-pyrimidine-2,4-diamine | CH...)
Affinity DataKi:  4.17E+3nMAssay 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
TargetDihydrofolate reductase(Lactobacillus casei)
Pomona College

Curated by ChEMBL
LigandPNGBDBM50138698(5-(4-Heptyloxy-benzyl)-pyrimidine-2,4-diamine | CH...)
Affinity DataKi:  4.37E+3nMAssay Description:Inhibitory activity against dihydrofolate reductase (DHFR) from Lactobacillus casei (expressed as log 1/Kiapp)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/6/2018
Entry Details Article
PubMed
TargetDihydrofolate reductase(Chicken)
Pomona College

Curated by ChEMBL
LigandPNGBDBM50138698(5-(4-Heptyloxy-benzyl)-pyrimidine-2,4-diamine | CH...)
Affinity DataKi:  1.86E+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