Compile Data Set for Download or QSAR
Found 15 Enz. Inhib. hit(s) with all data for entry = 50036714
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM18784(5-(3-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)copy SMILEScopy InChI
Affinity DataKi:  0.300nMAssay Description:Binding affinity was evaluated as inhibition of recombinant wild type (WT) Plasmodium falciparum DHFR-TS.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZC83JJPubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50064020(6-Ethyl-5-(3-methoxy-phenyl)-pyrimidine-2,4-diamin...)copy SMILEScopy InChI
Affinity DataKi:  1.10nMAssay Description:Binding affinity was evaluated as inhibition of recombinant wild type (WT) Plasmodium falciparum DHFR-TS.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZC83JJPubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM18512(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)copy SMILEScopy InChI
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 (isolate K1 / Thailand))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM18784(5-(3-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)copy SMILEScopy InChI
Affinity DataKi:  2.40nMAssay Description:Binding affinity was evaluated as inhibition of mutant (C59R + S108N) Plasmodium falciparum DHFR-TS.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZC83JJPubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM18792(1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-...)copy SMILEScopy InChI
Affinity DataKi:  2.60nMAssay 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 (isolate K1 / Thailand))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50192451(CHEMBL213053 | NADP+)copy SMILEScopy InChI
Affinity DataKi:  4.70nMAssay Description:Binding affinity was evaluated as inhibition of recombinant wild type (WT) Plasmodium falciparum DHFR-TS.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZC83JJPubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50064020(6-Ethyl-5-(3-methoxy-phenyl)-pyrimidine-2,4-diamin...)copy SMILEScopy InChI
Affinity DataKi:  14nMAssay Description:Inhibitory activity against mutant Plasmodium falciparum DHFR-TSMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZC83JJPubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50064020(6-Ethyl-5-(3-methoxy-phenyl)-pyrimidine-2,4-diamin...)copy SMILEScopy InChI
Affinity DataKi:  14nMAssay Description:Binding affinity was evaluated as inhibition of mutant (C59R + S108N) Plasmodium falciparum DHFR-TS.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZC83JJPubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50192451(CHEMBL213053 | NADP+)copy SMILEScopy InChI
Affinity DataKi:  15nMAssay Description:Binding affinity was evaluated as inhibition of mutant (C59R + S108N) Plasmodium falciparum DHFR-TS.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZC83JJPubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM18512(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)copy SMILEScopy InChI
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 (isolate K1 / Thailand))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM18792(1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-...)copy SMILEScopy InChI
Affinity DataKi:  82nMAssay 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 (isolate K1 / Thailand))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM18784(5-(3-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)copy SMILEScopy InChI
Affinity DataIC50: 2.70nMAssay Description:Inhibitory activity against recombinant wild type (WT) Plasmodium falciparum DHFR-TSMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZC83JJPubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50064020(6-Ethyl-5-(3-methoxy-phenyl)-pyrimidine-2,4-diamin...)copy SMILEScopy InChI
Affinity DataIC50: 9.30nMAssay Description:Inhibitory activity against recombinant wild type (WT) Plasmodium falciparum DHFR-TSMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZC83JJPubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM18784(5-(3-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)copy SMILEScopy InChI
Affinity DataIC50: 13nMAssay Description:Inhibitory activity against mutant Plasmodium falciparum DHFR-TSMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZC83JJPubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50064020(6-Ethyl-5-(3-methoxy-phenyl)-pyrimidine-2,4-diamin...)copy SMILEScopy InChI
Affinity DataIC50: 73nMAssay Description:Inhibitory activity against mutant Plasmodium falciparum DHFR-TSMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZC83JJPubMed