BDBM50138687 5-(4-(benzyloxy)benzyl)pyrimidine-2,4-diamine::5-(4-Benzyloxy-benzyl)-pyrimidine-2,4-diamine::CHEMBL56146

SMILES Nc1ncc(Cc2ccc(OCc3ccccc3)cc2)c(N)n1

InChI Key InChIKey=NTVMHTFWSNGDLC-UHFFFAOYSA-N

Data  8 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 15 hits for monomerid = 50138687   

TargetDihydrofolate reductase(Escherichia coli)
Beijing Medical University

Curated by ChEMBL
LigandPNGBDBM50138687(5-(4-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...)
Affinity DataKi:  2nMAssay Description:Apparent inhibitory (log 1/Ki) 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
LigandPNGBDBM50138687(5-(4-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...)
Affinity DataKi:  6.5nMAssay Description:Inhibitory activity against wild-type dihydrofolate reductase (S108N 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
LigandPNGBDBM50138687(5-(4-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...)
Affinity DataKi:  101nMAssay Description:Inhibitory activity against double mutant dihydrofolate reductase (C59R+S108N DHFR)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase type 1(Escherichia coli)
Pomona College

Curated by ChEMBL
LigandPNGBDBM50138687(5-(4-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...)
Affinity DataKi:  129nMAssay Description:Inhibitory activity against Escherichia coli dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Lactobacillus casei)
Pomona College

Curated by ChEMBL
LigandPNGBDBM50138687(5-(4-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...)
Affinity DataKi:  447nMAssay Description:Inhibitory activity against Lactobacillus casei 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
LigandPNGBDBM50138687(5-(4-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...)
Affinity DataKi:  994nMAssay Description:Inhibitory activity against triple mutant dihydrofolate reductase (C59R S108 NI164L 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
LigandPNGBDBM50138687(5-(4-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...)
Affinity DataKi:  4.64E+3nMAssay Description:Inhibitory activity against quadruple mutant dihydrofolate reductase (N51I C59R S108N I164L DHFR)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Gallus gallus (Chicken))
Pomona College

Curated by ChEMBL
LigandPNGBDBM50138687(5-(4-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...)
Affinity DataKi:  1.48E+4nMAssay Description:Inhibitory activity against chicken liver 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
LigandPNGBDBM50138687(5-(4-(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
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
National Center For Genetic Engineering And Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50138687(5-(4-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...)
Affinity DataIC50:  1.53E+4nMAssay 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
LigandPNGBDBM50138687(5-(4-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...)
Affinity DataIC50:  130nMAssay 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
LigandPNGBDBM50138687(5-(4-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...)
Affinity DataIC50:  2.27E+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
LigandPNGBDBM50138687(5-(4-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...)
Affinity DataIC50:  130nMAssay 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
LigandPNGBDBM50138687(5-(4-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...)
Affinity DataIC50:  1.71E+4nMAssay 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
LigandPNGBDBM50138687(5-(4-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...)
Affinity DataIC50:  2.15E+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