BDBM50138703 6-Ethyl-5-(3,4,5-trimethoxy-benzyl)-pyrimidine-2,4-diamine::6-ethyl-5-(3,4,5-trimethoxybenzyl)pyrimidine-2,4-diamine::CHEMBL419055

SMILES CCc1nc(N)nc(N)c1Cc1cc(OC)c(OC)c(OC)c1

InChI Key InChIKey=DEHBKCBJXJWRAZ-UHFFFAOYSA-N

Data  4 KI  8 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
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50138703   

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

Curated by ChEMBL
LigandPNGBDBM50138703(6-Ethyl-5-(3,4,5-trimethoxy-benzyl)-pyrimidine-2,4...)
Affinity DataKi:  4.30nMAssay 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
LigandPNGBDBM50138703(6-Ethyl-5-(3,4,5-trimethoxy-benzyl)-pyrimidine-2,4...)
Affinity DataKi:  116nMAssay Description:Inhibitory activity against double mutant dihydrofolate reductase (C59R+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
LigandPNGBDBM50138703(6-Ethyl-5-(3,4,5-trimethoxy-benzyl)-pyrimidine-2,4...)
Affinity DataKi:  467nMAssay 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
LigandPNGBDBM50138703(6-Ethyl-5-(3,4,5-trimethoxy-benzyl)-pyrimidine-2,4...)
Affinity DataKi:  698nMAssay Description:Inhibitory activity against quadruple mutant dihydrofolate reductase (N51I C59R S108N I164L DHFR)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed