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 121 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: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
Mahidol University
Affinity DataKi: 0.200nM ΔG°: -13.2kcal/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
National Center For Genetic Engineering and Biotechnology At Thailand
Affinity DataKi: 0.210nM ΔG°: -13.2kcal/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
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 reductaseChecked by AuthorMore data for this Ligand-Target Pair
Affinity DataKi: 1.20nMAssay Description:Inhibitor constant of compound for mutant S108 N plasmodium falciparum i 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
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(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
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:Dissociation rate 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: 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 of the compound was reported with purified recombinant P. carnii 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: 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
Affinity DataKi: 10nMAssay Description:Dissociation rate constant of compound for mutant T46A 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 DataKi: 20nMAssay Description:Inhibitor constant of compound for mutant T46S E. 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: 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 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
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
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
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
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: 250nMAssay Description:Inhibition of recombinant Dihydrofolate reductase from Leishmania major.More data for this Ligand-Target Pair
Affinity DataKi: 281nMAssay Description:Inhibition constant against binding of Escherichia coli dihydrofolate reductaseMore data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase [N51I,C59R,S108N,I164L](Plasmodium Falciparum)
Mahidol University
Mahidol University
Affinity DataKi: 283nM ΔG°: -8.93kcal/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
Pennsylvania State University
Curated by ChEMBL
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
Pennsylvania State University
Curated by ChEMBL
Affinity DataKi: 385nMAssay Description:Binding affinity towards mutant dihydrofolate reductase (N51I+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: 470nMAssay Description:Inhibition of human DHFR using dihydrofolate as substrate after 180 secs by spectrophotometric 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: 860nMAssay Description:Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with quadruple (N51I + C59R + S108N + I164L) mutationsMore data for this Ligand-Target Pair
TargetSolute carrier family 22 member 1(Mouse)
Riken Center For Life Science Technologies
Curated by ChEMBL
Riken Center For Life Science Technologies
Curated by ChEMBL
Affinity DataKi: 3.60E+3nMAssay Description:Inhibition of mouse Oct1 transfected in HEK293 cells assessed as uptake of [14C]-TEA preincubated for 15 mins by liquid scintillation counting analys...More data for this Ligand-Target Pair
Affinity DataKi: 5.15E+4nMAssay Description:Binding affinity towards cytochrome P450 2C9More data for this Ligand-Target Pair
TargetDihydrofolate reductase(Bacillus cereus (strain ATCC 14579 / DSM 31 / CCUG...)
University of Connecticut At Storrs
University of Connecticut At Storrs
Affinity DataIC50: >1.00E+6nMpH: 7.0 T: 25°CAssay Description:Enzyme activity assays were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over a period of severa...More data for this Ligand-Target Pair
Affinity DataEC50: 1.50E+5nMAssay Description:Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...More data for this Ligand-Target Pair
TargetLow molecular weight phosphotyrosine protein phosphatase(Human)
Burnham Center For Chemical Genomics
Curated by PubChem BioAssay
Burnham Center For Chemical Genomics
Curated by PubChem BioAssay
TargetLow molecular weight phosphotyrosine protein phosphatase(Human)
Burnham Center For Chemical Genomics
Curated by PubChem BioAssay
Burnham Center For Chemical Genomics
Curated by PubChem BioAssay
TargetTyrosine-protein phosphatase non-receptor type 22(Human)
Burnham Center For Chemical Genomics
Curated by PubChem BioAssay
Burnham Center For Chemical Genomics
Curated by PubChem BioAssay
Affinity DataKd: 1.40nMAssay Description:Dissociation rate constant of compound for mutant T46N Escherichia coli dihydrofolate reductaseMore data for this Ligand-Target Pair
Affinity DataKd: 13nMAssay Description:Inhibitor constant of compound for mutant T46A E. coli dihydrofolate reductaseMore data for this Ligand-Target Pair
Affinity DataKd: 16nMAssay Description:Thermodynamic dissociation constant of compound for mutant T46A E. coli dihydrofolate reductaseMore data for this Ligand-Target Pair