Compile Data Set for Download or QSAR
Report error Found 7 Enz. Inhib. hit(s) for PDB: 1J3I
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
East China University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM18793(6,6-dimethyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]...)
Affinity DataIC50: 0.570nMAssay Description:Inhibition of Plasmodium falciparum DHFRMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Science and Technology Development Agency

Curated by ChEMBL
LigandPNGBDBM18793(6,6-dimethyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]...)
Affinity DataIC50: 90nMAssay Description:Inhibition of pyrimethamine-resistant form-2 Plasmodium falciparum N51I, C59R, S108N, I164L, K96N mutant expressed in Escherichia coli BL21(DE3)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Science and Technology Development Agency

Curated by ChEMBL
LigandPNGBDBM18793(6,6-dimethyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]...)
Affinity DataKi:  0.0110nM ΔG°:  -62.5kJ/mole IC50: 0.570nMpH: 7.0 T: 2°CAssay Description:The concentration of inhibitor that inhibited 50% of the parasite growth (IC50) was determined from the sigmoidal curve obtained by plotting the perc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/5/2007
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
East China University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM18793(6,6-dimethyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]...)
Affinity DataKi:  0.0200nM ΔG°:  -61.1kJ/mole IC50: 2.30nMpH: 7.0 T: 2°CAssay Description:The concentration of inhibitor that inhibited 50% of the parasite growth (IC50) was determined from the sigmoidal curve obtained by plotting the perc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/5/2007
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM18793(6,6-dimethyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]...)
Affinity DataKi:  0.0370nM ΔG°:  -59.5kJ/mole IC50: 18nMpH: 7.0 T: 2°CAssay Description:The concentration of inhibitor that inhibited 50% of the parasite growth (IC50) was determined from the sigmoidal curve obtained by plotting the perc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/5/2007
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
East China University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM18793(6,6-dimethyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]...)
Affinity DataKi:  1.10nMAssay Description:Inhibition constant against Plasmodium falciparum dihydrofolate reductaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Science and Technology Development Agency

Curated by ChEMBL
LigandPNGBDBM18793(6,6-dimethyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]...)
Affinity DataKi:  292nMAssay Description:Inhibition of pyrimethamine-resistant form-2 Plasmodium falciparum N51I, C59R, S108N, I164L, K96N mutant expressed in Escherichia coli BL21(DE3) by M...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)