BDBM50110763 5-{4-[3-(2,4,5-Trichloro-phenoxy)-propoxy]-benzyl}-pyrimidine-2,4-diamine::CHEMBL25112

SMILES Nc1ncc(Cc2ccc(OCCCOc3cc(Cl)c(Cl)cc3Cl)cc2)c(N)n1

InChI Key InChIKey=DALRJXBMZMHUGY-UHFFFAOYSA-N

Data  3 KI  1 IC50

  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 4 hits for monomerid = 50110763   

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

Curated by ChEMBL
LigandPNGBDBM50110763(5-{4-[3-(2,4,5-Trichloro-phenoxy)-propoxy]-benzyl}...)
Affinity DataKi:  0.900nMAssay Description:Inhibition of the wild-type dihydrofolate reductase (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
LigandPNGBDBM50110763(5-{4-[3-(2,4,5-Trichloro-phenoxy)-propoxy]-benzyl}...)
Affinity DataKi:  23.5nMAssay Description:Inhibition of the S108N mutant of dihydrofolate reductase (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
LigandPNGBDBM50110763(5-{4-[3-(2,4,5-Trichloro-phenoxy)-propoxy]-benzyl}...)
Affinity DataKi:  39.1nMAssay Description:Inhibition of the C59R+S108N mutant of dihydrofolate reductase (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
LigandPNGBDBM50110763(5-{4-[3-(2,4,5-Trichloro-phenoxy)-propoxy]-benzyl}...)
Affinity DataIC50:  3.50E+3nMAssay Description:Antiplasmodial activity (IC50) against Plasmodium falciparum Clone with mutant enzyme C59R+S108N- pfDihydrofolate reductase (K1CB1)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed