Compile Data Set for Download or QSAR
maximum 50k data
Report error Found 33 Enz. Inhib. hit(s) for PDB: 3UM5
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
Pennsylvania State University

Curated by ChEMBL
LigandPNGBDBM18512(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Affinity DataKi:  0.190nMAssay Description:Inhibitor constant of compound for plasmodium falciparum dihydrofolate reductaseMore data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
Pennsylvania State University

Curated by ChEMBL
LigandPNGBDBM18512(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Affinity DataKi:  0.190nMAssay Description:Thermodynamic dissociation constant of compound for mutant T46S E. coli dihydrofolate reductaseMore data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
Mahidol University

LigandPNGBDBM18512(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Affinity DataKi:  0.200nM ΔG°:  -55.4kJ/mole IC50:  80nMpH: 7.0 T: 25°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
TargetBifunctional dihydrofolate reductase-thymidylate synthase(malaria parasite P. vivax)
National Center For Genetic Engineering and Biotechnology At Thailand

LigandPNGBDBM18512(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Affinity DataKi:  0.210nM ΔG°:  -55.2kJ/mole IC50:  180nMpH: 7.0 T: 25°CAssay Description:Nineteen Pyr analogs were studied for their inhibition activity against cells expressing either WT or SP21 mutant PvDHFR-TS. The assays were conducte...More data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
Pennsylvania State University

Curated by ChEMBL
LigandPNGBDBM18512(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Affinity DataKi:  0.600nMAssay Description:Binding affinity towards wild-type dihydrofolate reductase of Plasmodium falciparum.More data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
Pennsylvania State University

Curated by ChEMBL
LigandPNGBDBM18512(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Affinity DataKi:  0.600nMAssay Description:Inhibition of the wild-type dihydrofolate reductase (DHFR)More data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
Mahidol University

LigandPNGBDBM18512(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Affinity DataKi:  0.850nMAssay 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
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
Pennsylvania State University

Curated by ChEMBL
LigandPNGBDBM18512(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Affinity DataKi:  0.870nMAssay Description:Inhibition constant against Plasmodium falciparum dihydrofolate reductaseChecked by AuthorMore data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
Pennsylvania State University

Curated by ChEMBL
LigandPNGBDBM18512(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Affinity DataKi:  1.40nMAssay Description:Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with single S108T mutationMore data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
Pennsylvania State University

Curated by ChEMBL
LigandPNGBDBM18512(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Affinity DataKi:  1.5nMAssay Description:Binding affinity was evaluated as inhibition of recombinant wild type (WT) Plasmodium falciparum DHFR-TS.More data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
Pennsylvania State University

Curated by ChEMBL
LigandPNGBDBM18512(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Affinity DataKi:  1.5nMAssay Description:Inhibition constant against wild-type PfDHFR (Plasmodium falciparum dihydrofolate reductase)More data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
Pennsylvania State University

Curated by ChEMBL
LigandPNGBDBM18512(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Affinity DataKi:  3.60nMAssay Description:Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with double (A16V + S108T) mutationsMore data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
Pennsylvania State University

Curated by ChEMBL
LigandPNGBDBM18512(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Affinity DataKi:  6nMAssay Description:Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with single A16V mutationMore data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
Pennsylvania State University

Curated by ChEMBL
LigandPNGBDBM18512(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Affinity DataKi:  9.80nM ΔG°:  -45.7kJ/mole IC50:  3.09E+4nMpH: 7.0 T: 25°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
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
Pennsylvania State University

Curated by ChEMBL
LigandPNGBDBM18512(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Affinity DataKi:  28.6nMAssay Description:Inhibition of the S108N mutant of dihydrofolate reductase (DHFR)More data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
Pennsylvania State University

Curated by ChEMBL
LigandPNGBDBM18512(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Affinity DataKi:  53.9nMAssay Description:Inhibition of the C59R+S108N mutant of dihydrofolate reductase (DHFR)More data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
Pennsylvania State University

Curated by ChEMBL
LigandPNGBDBM18512(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Affinity DataKi:  67.1nMAssay Description:Binding affinity towards mutant dihydrofolate reductase (N51I+C59R+S108N DHFR) of Plasmodium falciparumMore data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
Pennsylvania State University

Curated by ChEMBL
LigandPNGBDBM18512(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Affinity DataKi:  72nMAssay Description:Binding affinity was evaluated as inhibition of mutant (C59R + S108N) Plasmodium falciparum DHFR-TS.More data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
Pennsylvania State University

Curated by ChEMBL
LigandPNGBDBM18512(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Affinity DataKi:  112nMAssay Description:Binding affinity towards mutant dihydrofolate reductase (C59R+S108N+I164L DHFR) of Plasmodium falciparumMore data for this Ligand-Target Pair
LigandPNGBDBM18512(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Affinity DataKi:  283nM ΔG°:  -37.4kJ/mole IC50: >1.00E+5nMpH: 7.0 T: 25°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
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
Pennsylvania State University

Curated by ChEMBL
LigandPNGBDBM18512(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Affinity DataKi:  380nMAssay Description:Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with triple (C59R + S108N + I164L) mutationsMore data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
Pennsylvania State University

Curated by ChEMBL
LigandPNGBDBM18512(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Affinity DataKi:  385nMAssay Description:Binding affinity towards mutant dihydrofolate reductase (N51I+C59R+S108N+I164L DHFR) of Plasmodium falciparumMore data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
Pennsylvania State University

Curated by ChEMBL
LigandPNGBDBM18512(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Affinity DataKi:  860nMAssay Description:Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with quadruple (N51I + C59R + S108N + I164L) mutationsMore data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
Pennsylvania State University

Curated by ChEMBL
LigandPNGBDBM18512(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Affinity DataIC50:  5.25nMAssay Description:TBDMore data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
Pennsylvania State University

Curated by ChEMBL
LigandPNGBDBM18512(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Affinity DataIC50:  26nMAssay Description:Inhibition of Plasmodium falciparum DHFR using DHF as substrate preincubated for 15 mins followed DHF addition measured after 15 mins by spectrophoto...More data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
Pennsylvania State University

Curated by ChEMBL
LigandPNGBDBM18512(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Affinity DataIC50:  58nMAssay Description:Inhibition of Plasmodium falciparum DHFRMore data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
Pennsylvania State University

Curated by ChEMBL
LigandPNGBDBM18512(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Affinity DataIC50:  80nMAssay Description:Inhibition of Plasmodium falciparum DHFRMore data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
Pennsylvania State University

Curated by ChEMBL
LigandPNGBDBM18512(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Affinity DataIC50:  80nMAssay Description:In vitro anti-plasmodial activity against Plasmodium falciparum with wild type dihydrofolate reductase (TM4/8.2).More data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
Mahidol University

LigandPNGBDBM18512(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Affinity DataIC50:  2.48E+3nMAssay 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
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
Pennsylvania State University

Curated by ChEMBL
LigandPNGBDBM18512(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Affinity DataIC50:  3.09E+4nMAssay Description:Antiplasmodial activity (IC50) against Plasmodium falciparum Clone with mutant enzyme C59R+S108N- pfDihydrofolate reductase (K1CB1)More data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
Pennsylvania State University

Curated by ChEMBL
LigandPNGBDBM18512(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Affinity DataIC50:  4.17E+4nMAssay Description:In vitro anti-plasmodial activity against Plasmodium falciparum with mutant C59R+S108N+I164L (Csl-2) dihydrofolate reductase.More data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
Pennsylvania State University

Curated by ChEMBL
LigandPNGBDBM18512(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Affinity DataIC50:  7.35E+4nMAssay Description:In vitro anti-plasmodial activity against Plasmodium falciparum with mutant N51I+C59R+S108N (W2) dihydrofolate reductase.More data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
Pennsylvania State University

Curated by ChEMBL
LigandPNGBDBM18512(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Affinity DataIC50: >1.00E+5nMAssay Description:In vitro anti-plasmodial activity against Plasmodium falciparum with mutant CN51I+C59R+S108N+I164L (V1/S) dihydrofolate reductase.More data for this Ligand-Target Pair