BDBM18512 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine::CHEMBL36::Pyrimethamine (Pyr)::US11530198, Example Pyrimethamine::cid_4993
SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1
InChI Key InChIKey=WKSAUQYGYAYLPV-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 124 hits for monomerid = 18512
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
Pennsylvania State University
Curated by ChEMBL
Pennsylvania State University
Curated by ChEMBL
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
Pennsylvania State University
Curated by ChEMBL
Affinity DataKi: 0.190nMAssay Description:Inhibitor constant of compound for mutant S108 N Plasmodium falciparum in dihydrofolate reductaseMore data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
Mahidol University
Mahidol University
Affinity DataKi: 0.200nM ΔG°: -13.2kcal/mole IC50: 80nMpH: 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
TargetBifunctional dihydrofolate reductase-thymidylate synthase(malaria parasite P. vivax)
National Center For Genetic Engineering and Biotechnology At Thailand
National Center For Genetic Engineering and Biotechnology At Thailand
Affinity DataKi: 0.210nM ΔG°: -13.2kcal/mole IC50: 180nMpH: 7.0 T: 2°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
Pennsylvania State University
Curated by ChEMBL
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)
Pennsylvania State University
Curated by ChEMBL
Pennsylvania State University
Curated by ChEMBL
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)
Mahidol University
Mahidol University
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
Pennsylvania State University
Curated by ChEMBL
Affinity DataKi: 0.870nMAssay Description:Inhibition constant against Plasmodium falciparum dihydrofolate reductaseMore data for this Ligand-Target Pair
Affinity DataKi: 1.20nMAssay Description:Inhibitor constant of compound for mutant T46A Escherichia coli dihydrofolate reductaseMore data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
Pennsylvania State University
Curated by ChEMBL
Pennsylvania State University
Curated by ChEMBL
Affinity DataKi: 1.40nMAssay Description:Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with single S108T mutationMore data for this Ligand-Target Pair
Affinity DataKd: 1.40nMAssay Description:Thermodynamic dissociation constant of compound for mutant T46A Escherichia coli dihydrofolate reductaseMore data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
Pennsylvania State University
Curated by ChEMBL
Pennsylvania State University
Curated by ChEMBL
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
Affinity DataKd: 1.5nMAssay Description:Thermodynamic dissociation constant of compound for mutant T46N Escherichia coli dihydrofolate reductaseMore data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
Pennsylvania State University
Curated by ChEMBL
Pennsylvania State University
Curated by ChEMBL
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 [1-238,S58R,S117N](malaria parasite P. vivax)
National Center For Genetic Engineering and Biotechnology At Thailand
National Center For Genetic Engineering and Biotechnology At Thailand
Affinity DataKi: 3.04nM IC50: 2.00E+4nMAssay 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
Pennsylvania State University
Curated by ChEMBL
Affinity DataKi: 3.60nMAssay Description:Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with double (A16V + S108T) mutationsMore data for this Ligand-Target Pair
Affinity DataKi: 5.20nMAssay Description:Inhibitor constant of compound for mutant T46S Escherichia coli dihydrofolate reductaseMore data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
Pennsylvania State University
Curated by ChEMBL
Pennsylvania State University
Curated by ChEMBL
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
Pennsylvania State University
Curated by ChEMBL
Pennsylvania State University
Curated by ChEMBL
Affinity DataKi: 6nMAssay Description:Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with single A16V mutationMore data for this Ligand-Target Pair
TargetDihydrofolate reductase(Human)
National Center For Genetic Engineering and Biotechnology At Thailand
Curated by ChEMBL
National Center For Genetic Engineering and Biotechnology At Thailand
Curated by ChEMBL
Affinity DataKi: 8nMAssay Description:Cytotoxicity by selective inhibition against human dihydrofolate reductase (DHFR).More data for this Ligand-Target Pair
TargetDihydrofolate reductase(Pneumocystis carinii)
Indiana University School of Medicine
Curated by ChEMBL
Indiana University School of Medicine
Curated by ChEMBL
Affinity DataKi: 9.70nMAssay Description:Binding affinity was reported with purified recombinant Pneumocystis carinii Dihydrofolate reductaseMore data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
Pennsylvania State University
Curated by ChEMBL
Pennsylvania State University
Curated by ChEMBL
Affinity DataKi: 9.80nM ΔG°: -10.9kcal/mole IC50: 3.09E+4nMpH: 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
Affinity DataKi: 10nMAssay Description:Inhibitor constant of compound for wild type Escherichia coli dihydrofolate reductaseMore data for this Ligand-Target Pair
TargetDihydrofolate reductase(Human)
National Center For Genetic Engineering and Biotechnology At Thailand
Curated by ChEMBL
National Center For Genetic Engineering and Biotechnology At Thailand
Curated by ChEMBL
Affinity DataKi: 11nMAssay Description:Inhibition of recombinant Dihydrofolate reductase from humans.More data for this Ligand-Target Pair
Affinity DataKd: 13nMAssay Description:Thermodynamic dissociation constant of compound for wild type Escherichia coli dihydrofolate reductaseMore data for this Ligand-Target Pair
Affinity DataKd: 16nMAssay Description:Thermodynamic dissociation constant of compound for mutant T46N Escherichia coli dihydrofolate reductaseMore data for this Ligand-Target Pair
Affinity DataKi: 20nMAssay Description:Inhibitor constant of compound for mutant T46N Escherichia coli dihydrofolate reductaseMore data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
Pennsylvania State University
Curated by ChEMBL
Pennsylvania State University
Curated by ChEMBL
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
TargetDihydrofolate reductase(Human)
National Center For Genetic Engineering and Biotechnology At Thailand
Curated by ChEMBL
National Center For Genetic Engineering and Biotechnology At Thailand
Curated by ChEMBL
Affinity DataKi: 28nMAssay Description:Inhibition of human DHFRMore data for this Ligand-Target Pair
TargetDihydrofolate reductase(Human)
National Center For Genetic Engineering and Biotechnology At Thailand
Curated by ChEMBL
National Center For Genetic Engineering and Biotechnology At Thailand
Curated by ChEMBL
Affinity DataKi: 28nMAssay Description:Inhibition of human dihydrofolate reductase using dihydrofolate as substrate in presence of NADPH by UV-vis spectrophotometry analysisMore data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
Pennsylvania State University
Curated by ChEMBL
Pennsylvania State University
Curated by ChEMBL
Affinity DataKi: 28.6nMAssay Description:Inhibition of the S108N mutant of dihydrofolate reductase (DHFR)More data for this Ligand-Target Pair
TargetDihydrofolate reductase(Human)
National Center For Genetic Engineering and Biotechnology At Thailand
Curated by ChEMBL
National Center For Genetic Engineering and Biotechnology At Thailand
Curated by ChEMBL
Affinity DataKi: 30.8nMAssay Description:Binding affinity to human recombinant DHFR expressed in Escherichia coli BL21(DE3) by competitive binding assayMore data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
Pennsylvania State University
Curated by ChEMBL
Pennsylvania State University
Curated by ChEMBL
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
Pennsylvania State University
Curated by ChEMBL
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
Pennsylvania State University
Curated by ChEMBL
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
Pennsylvania State University
Curated by ChEMBL
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(Toxoplasma gondii)
Duquesne University
Curated by ChEMBL
Duquesne University
Curated by ChEMBL
Affinity DataIC50: 80nMAssay Description:Inhibition of Toxoplasma gondii dihydrofolate reductaseMore data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
Pennsylvania State University
Curated by ChEMBL
Pennsylvania State University
Curated by ChEMBL
Affinity DataIC50: 80nMAssay Description:In vitro anti-plasmodial activity against Plasmodium falciparum dihydrofolate reductase wild type (TM4/8.2)More data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
Pennsylvania State University
Curated by ChEMBL
Pennsylvania State University
Curated by ChEMBL
Affinity DataIC50: 80nMAssay Description:Inhibition of Plasmodium falciparum DHFRMore data for this Ligand-Target Pair
TargetDihydrofolate reductase(Human)
National Center For Genetic Engineering and Biotechnology At Thailand
Curated by ChEMBL
National Center For Genetic Engineering and Biotechnology At Thailand
Curated by ChEMBL
Affinity DataKi: 98nMAssay Description:Inhibition of recombinant Dihydrofolate reductase from Trypanosoma cruzi.More data for this Ligand-Target Pair
Affinity DataIC50: 101nMAssay Description:Inhibition of bovine liver DHFRMore data for this Ligand-Target Pair
Affinity DataIC50: 101nMAssay Description:Inhibition of bovine liver DHFR pre-incubated 2 mins before dihydrofolic acid substrate addition and measured over 10 mins in presence of NADPHMore data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
Pennsylvania State University
Curated by ChEMBL
Pennsylvania State University
Curated by ChEMBL
Affinity DataKi: 112nMAssay Description:Binding affinity towards mutant dihydrofolate reductase (C59R+S108N+I164L DHFR) of Plasmodium falciparumMore data for this Ligand-Target Pair
TargetDihydrofolate reductase(Human)
National Center For Genetic Engineering and Biotechnology At Thailand
Curated by ChEMBL
National Center For Genetic Engineering and Biotechnology At Thailand
Curated by ChEMBL
Affinity DataKi: 120nMAssay Description:Inhibition of recombinant Dihydrofolate reductase from humans.More data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Duquesne University
Curated by ChEMBL
Duquesne University
Curated by ChEMBL
Affinity DataIC50: 139nMAssay Description:Inhibition of Toxoplasma gondii DHFR-TS expressed in Escherichia coli BL21 competent cells using DHF as substrate preincubated for 15 mins followed b...More data for this Ligand-Target Pair
Affinity DataIC50: 140nMAssay Description:Inhibition of bovine liver DHFR using FH2 as substrate preincubated for 2 mins followed by substrate additionMore data for this Ligand-Target Pair
Affinity DataIC50: 140nMAssay Description:Inhibition of bovine liver DHFR using FH2 as substrate preincubated for 2 mins followed by substrate addition in presence of NADPHMore data for this Ligand-Target Pair
Affinity DataIC50: 140nMAssay Description:Inhibition of bovine liver DHFR using FH2 as substrate incubated for 2 mins followed by substrate additionMore data for this Ligand-Target Pair
Affinity DataIC50: 141nMAssay Description:Inhibition of bovine liver DHFR incubated for 12 mins in presence of NADPHMore data for this Ligand-Target Pair
TargetMultidrug and toxin extrusion protein 1(Mouse)
Riken Center For Life Science Technologies
Curated by ChEMBL
Riken Center For Life Science Technologies
Curated by ChEMBL
Affinity DataKi: 145nMAssay Description:Inhibition of mouse Mate1 transfected in HEK293 cells assessed as uptake of [14C]-TEA preincubated for 15 mins by liquid scintillation counting analy...More data for this Ligand-Target Pair
