null

SMILES CCc1nc(N)nc(N)c1-c1cccc(OC)c1

InChI Key InChIKey=BCMQURZZONLYKB-UHFFFAOYSA-N

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50064020   

TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50064020(6-Ethyl-5-(3-methoxy-phenyl)-pyrimidine-2,4-diamin...)copy SMILEScopy InChI
Affinity DataKi:  1.10nMAssay Description:Binding affinity was evaluated as inhibition of recombinant wild type (WT) Plasmodium falciparum DHFR-TS.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZC83JJPubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50064020(6-Ethyl-5-(3-methoxy-phenyl)-pyrimidine-2,4-diamin...)copy SMILEScopy InChI
Affinity DataKi:  14nMAssay Description:Inhibitory activity against mutant Plasmodium falciparum DHFR-TSMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZC83JJPubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50064020(6-Ethyl-5-(3-methoxy-phenyl)-pyrimidine-2,4-diamin...)copy SMILEScopy InChI
Affinity DataKi:  14nMAssay Description:Binding affinity was evaluated as inhibition of mutant (C59R + S108N) Plasmodium falciparum DHFR-TS.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZC83JJPubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50064020(6-Ethyl-5-(3-methoxy-phenyl)-pyrimidine-2,4-diamin...)copy SMILEScopy InChI
Affinity DataKi:  36nMAssay Description:Inhibition constant against Plasmodium falciparum dihydrofolate reductaseChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HH6JKZPubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50064020(6-Ethyl-5-(3-methoxy-phenyl)-pyrimidine-2,4-diamin...)copy SMILEScopy InChI
Affinity DataIC50: 73nMAssay Description:Inhibitory activity against mutant Plasmodium falciparum DHFR-TSMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZC83JJPubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50064020(6-Ethyl-5-(3-methoxy-phenyl)-pyrimidine-2,4-diamin...)copy SMILEScopy InChI
Affinity DataIC50: 9.30nMAssay Description:Inhibitory activity against recombinant wild type (WT) Plasmodium falciparum DHFR-TSMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZC83JJPubMed