BDBM50138691 5-(3,4-Dimethoxy-benzyl)-pyrimidine-2,4-diamine::CHEMBL19633::Diaveridine

SMILES COc1ccc(Cc2cnc(N)nc2N)cc1OC

InChI Key InChIKey=LDBTVAXGKYIFHO-UHFFFAOYSA-N

Data  17 KI

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50138691   

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

Curated by ChEMBL
LigandPNGBDBM50138691(5-(3,4-Dimethoxy-benzyl)-pyrimidine-2,4-diamine | ...)
Affinity DataKi:  11.5nMAssay Description:Inhibitory activity against wild-type dihydrofolate reductase (S108N DHFR)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Escherichia coli)
TBA

Curated by ChEMBL
LigandPNGBDBM50138691(5-(3,4-Dimethoxy-benzyl)-pyrimidine-2,4-diamine | ...)
Affinity DataKi:  19nMAssay 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
LigandPNGBDBM50138691(5-(3,4-Dimethoxy-benzyl)-pyrimidine-2,4-diamine | ...)
Affinity DataKi:  19nMAssay Description:Inhibition of Rap1A-mediated geranylgeranylation expressed in mouse NIH3T3 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Escherichia coli)
TBA

Curated by ChEMBL
LigandPNGBDBM50138691(5-(3,4-Dimethoxy-benzyl)-pyrimidine-2,4-diamine | ...)
Affinity DataKi:  19nMAssay Description:Apparent inhibitory (log 1/Ki) activity against 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
LigandPNGBDBM50138691(5-(3,4-Dimethoxy-benzyl)-pyrimidine-2,4-diamine | ...)
Affinity DataKi:  19nMAssay Description:Inhibitory activity against Escherichia coli dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Escherichia coli)
TBA

Curated by ChEMBL
LigandPNGBDBM50138691(5-(3,4-Dimethoxy-benzyl)-pyrimidine-2,4-diamine | ...)
Affinity DataKi:  19.1nMAssay Description:Inhibition constant against binding of Escherichia coli dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Lactobacillus casei)
Pomona College

Curated by ChEMBL
LigandPNGBDBM50138691(5-(3,4-Dimethoxy-benzyl)-pyrimidine-2,4-diamine | ...)
Affinity DataKi:  120nMAssay 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
LigandPNGBDBM50138691(5-(3,4-Dimethoxy-benzyl)-pyrimidine-2,4-diamine | ...)
Affinity DataKi:  120nMAssay Description:Inhibition of Rap1A-mediated geranylgeranylation expressed in mouse NIH3T3 cellsMore 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
LigandPNGBDBM50138691(5-(3,4-Dimethoxy-benzyl)-pyrimidine-2,4-diamine | ...)
Affinity DataKi:  235nMAssay Description:Inhibitory activity against double mutant dihydrofolate reductase (C59R+S108N DHFR)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Bos taurus (Cattle))
TBA

Curated by ChEMBL
LigandPNGBDBM50138691(5-(3,4-Dimethoxy-benzyl)-pyrimidine-2,4-diamine | ...)
Affinity DataKi:  2.19E+3nMpH: 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
LigandPNGBDBM50138691(5-(3,4-Dimethoxy-benzyl)-pyrimidine-2,4-diamine | ...)
Affinity DataKi:  2.19E+3nMpH: 7.2Assay Description:Inhibitory activity against bovine liver 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
LigandPNGBDBM50138691(5-(3,4-Dimethoxy-benzyl)-pyrimidine-2,4-diamine | ...)
Affinity DataKi:  2.65E+3nMAssay Description:Inhibitory activity against triple mutant dihydrofolate reductase (C59R S108 NI164L DHFR)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Bos taurus (Cattle))
TBA

Curated by ChEMBL
LigandPNGBDBM50138691(5-(3,4-Dimethoxy-benzyl)-pyrimidine-2,4-diamine | ...)
Affinity DataKi:  7.08E+3nMAssay 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
LigandPNGBDBM50138691(5-(3,4-Dimethoxy-benzyl)-pyrimidine-2,4-diamine | ...)
Affinity DataKi:  1.39E+4nMAssay 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))
TBA

Curated by ChEMBL
LigandPNGBDBM50138691(5-(3,4-Dimethoxy-benzyl)-pyrimidine-2,4-diamine | ...)
Affinity DataKi:  3.47E+4nMpH: 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))
TBA

Curated by ChEMBL
LigandPNGBDBM50138691(5-(3,4-Dimethoxy-benzyl)-pyrimidine-2,4-diamine | ...)
Affinity DataKi:  3.47E+4nMAssay Description:Inhibitory activity against chicken liver dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Gallus gallus (Chicken))
TBA

Curated by ChEMBL
LigandPNGBDBM50138691(5-(3,4-Dimethoxy-benzyl)-pyrimidine-2,4-diamine | ...)
Affinity DataKi:  3.47E+4nMpH: 7.2Assay Description:Inhibitory activity against chicken dihydrofolate reductase at pH 7.2.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed