BDBM50081909 5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine::5-(3-Benzyloxy-benzyl)-pyrimidine-2,4-diamine::CHEMBL274031

SMILES Nc1ncc(Cc2cccc(OCc3ccccc3)c2)c(N)n1

InChI Key InChIKey=PUMGLGGVAIIWCB-UHFFFAOYSA-N

Data  21 KI  7 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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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 28 hits for monomerid = 50081909   

TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
National Center For Genetic Engineering And Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50081909(5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...)
Affinity DataKi:  6.30nMAssay Description:Inhibitory activity against wild-type dihydrofolate reductase (S108N DHFR)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
Cardiff University

Curated by ChEMBL
LigandPNGBDBM50081909(5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...)
Affinity DataKi:  11nMAssay Description:Inhibition of recombinant Dihydrofolate reductase from humans.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
Cardiff University

Curated by ChEMBL
LigandPNGBDBM50081909(5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...)
Affinity DataKi:  65nMAssay Description:Inhibition of recombinant Dihydrofolate reductase from Leishmania major.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Escherichia coli)
TBA

Curated by ChEMBL
LigandPNGBDBM50081909(5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...)
Affinity DataKi:  102nMAssay Description:Compound is evaluated for the inhibition of dihydrofolate reductase from Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Escherichia coli)
TBA

Curated by ChEMBL
LigandPNGBDBM50081909(5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...)
Affinity DataKi:  102nMAssay Description:Apparent inhibitory (log 1/Ki) activity against Escherichia coli dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Escherichia coli)
TBA

Curated by ChEMBL
LigandPNGBDBM50081909(5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...)
Affinity DataKi:  102nMAssay Description:Inhibitory activity against dihydrofolate reductase (DHFR) from Escherichia coli (expressed as log 1/Kiapp)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Escherichia coli)
TBA

Curated by ChEMBL
LigandPNGBDBM50081909(5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...)
Affinity DataKi:  102nMAssay Description:Inhibition constant against binding of Escherichia coli dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Salmonella enterica subsp. enterica serovar Typhi)
Pomona College

Curated by ChEMBL
LigandPNGBDBM50081909(5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...)
Affinity DataKi:  102nMAssay 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
LigandPNGBDBM50081909(5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...)
Affinity DataKi:  114nMAssay Description:Inhibitory activity against double mutant dihydrofolate reductase (C59R+S108N DHFR)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
Cardiff University

Curated by ChEMBL
LigandPNGBDBM50081909(5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...)
Affinity DataKi:  200nMAssay Description:Inhibition of recombinant Dihydrofolate reductase from Trypanosoma cruzi.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Bos taurus (Cattle))
TBA

Curated by ChEMBL
LigandPNGBDBM50081909(5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...)
Affinity DataKi:  295nMpH: 7.2Assay Description:Inhibitory activity against bovine liver dihydrofolate reductase at pH 7.2.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Bos taurus (Cattle))
TBA

Curated by ChEMBL
LigandPNGBDBM50081909(5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...)
Affinity DataKi:  295nMpH: 7.2Assay Description:Inhibitory activity against bovine liver dihydrofolate reductase at pH 7.2.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Bos taurus (Cattle))
TBA

Curated by ChEMBL
LigandPNGBDBM50081909(5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...)
Affinity DataKi:  295nMAssay Description:Inhibition of dihydrofolate reductase from bovine liverMore 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
LigandPNGBDBM50081909(5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...)
Affinity DataKi:  456nMAssay 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
LigandPNGBDBM50081909(5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...)
Affinity DataKi:  515nMAssay Description:Inhibitory activity against triple mutant dihydrofolate reductase (C59R S108 NI164L DHFR)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Lactobacillus casei)
Pomona College

Curated by ChEMBL
LigandPNGBDBM50081909(5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...)
Affinity DataKi:  708nMAssay Description:Inhibitory activity against Lactobacillus casei dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Lactobacillus casei)
Pomona College

Curated by ChEMBL
LigandPNGBDBM50081909(5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...)
Affinity DataKi:  708nMAssay Description:Inhibitory activity against dihydrofolate reductase (DHFR) from Lactobacillus casei (expressed as log 1/Kiapp)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
Cardiff University

Curated by ChEMBL
LigandPNGBDBM50081909(5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...)
Affinity DataKi:  1.00E+3nMAssay Description:Inhibition of recombinant Dihydrofolate reductase from humans.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Gallus gallus (Chicken))
Pomona College

Curated by ChEMBL
LigandPNGBDBM50081909(5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...)
Affinity DataKi:  2.34E+3nMAssay Description:Inhibitory activity against chicken liver dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Gallus gallus (Chicken))
Pomona College

Curated by ChEMBL
LigandPNGBDBM50081909(5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...)
Affinity DataKi:  2.34E+3nMpH: 7.2Assay Description:Inhibitory activity against chicken dihydrofolate reductase at pH 7.2.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Gallus gallus (Chicken))
Pomona College

Curated by ChEMBL
LigandPNGBDBM50081909(5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...)
Affinity DataKi:  2.34E+3nMpH: 7.2Assay Description:Inhibitory activity against chicken dihydrofolate reductase at pH 7.2.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
LigandPNGBDBM50081909(5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...)
Affinity DataIC50:  3.33E+3nMAssay 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
LigandPNGBDBM50081909(5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...)
Affinity DataIC50:  30nMAssay 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
LigandPNGBDBM50081909(5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...)
Affinity DataIC50:  30nMAssay 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
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
National Center For Genetic Engineering And Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50081909(5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...)
Affinity DataIC50:  1.28E+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
LigandPNGBDBM50081909(5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...)
Affinity DataIC50:  3.52E+3nMAssay 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
LigandPNGBDBM50081909(5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...)
Affinity DataIC50:  2.28E+3nMAssay 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
LigandPNGBDBM50081909(5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...)
Affinity DataIC50:  1.52E+4nMAssay 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