BDBM18779 6-ethyl-5-(4-methylphenyl)pyrimidine-2,4-diamine::CHEMBL21778::P17

SMILES CCc1nc(N)nc(N)c1-c1ccc(C)cc1

InChI Key InChIKey=BGGIEUCLTOKUIN-UHFFFAOYSA-N

Data  10 KI  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 18779   

TargetBifunctional dihydrofolate reductase-thymidylate synthase(malaria parasite P. vivax)
National Center For Genetic Engineering and Biotechnology At Thailand

LigandPNGBDBM18779(6-ethyl-5-(4-methylphenyl)pyrimidine-2,4-diamine |...)
Affinity DataKi:  0.390nM ΔG°:  -12.8kcal/mole IC50:  140nMpH: 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
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM18779(6-ethyl-5-(4-methylphenyl)pyrimidine-2,4-diamine |...)
Affinity DataKi:  0.400nMAssay Description:Binding affinity towards wild-type dihydrofolate reductase of Plasmodium falciparum.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM18779(6-ethyl-5-(4-methylphenyl)pyrimidine-2,4-diamine |...)
Affinity DataKi:  0.400nMAssay Description:Inhibition of the wild-type dihydrofolate reductase (DHFR)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM18779(6-ethyl-5-(4-methylphenyl)pyrimidine-2,4-diamine |...)
Affinity DataKi:  1.10nMAssay Description:Inhibition constant against Plasmodium falciparum dihydrofolate reductaseChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase [1-238,S58R,S117N](malaria parasite P. vivax)
National Center For Genetic Engineering and Biotechnology At Thailand

LigandPNGBDBM18779(6-ethyl-5-(4-methylphenyl)pyrimidine-2,4-diamine |...)
Affinity DataKi:  2.21nM IC50:  1.24E+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
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM18779(6-ethyl-5-(4-methylphenyl)pyrimidine-2,4-diamine |...)
Affinity DataKi:  6.90nMAssay Description:Binding affinity towards mutant dihydrofolate reductase (N51I+C59R+S108N DHFR) of Plasmodium falciparumMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM18779(6-ethyl-5-(4-methylphenyl)pyrimidine-2,4-diamine |...)
Affinity DataKi:  10.6nMAssay Description:Inhibition of the S108N mutant of dihydrofolate reductase (DHFR)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM18779(6-ethyl-5-(4-methylphenyl)pyrimidine-2,4-diamine |...)
Affinity DataKi:  14.7nMAssay Description:Inhibition of the C59R+S108N mutant of dihydrofolate reductase (DHFR)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM18779(6-ethyl-5-(4-methylphenyl)pyrimidine-2,4-diamine |...)
Affinity DataKi:  88nMAssay Description:Binding affinity towards mutant dihydrofolate reductase (C59R+S108N+I164L DHFR) of Plasmodium falciparumMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM18779(6-ethyl-5-(4-methylphenyl)pyrimidine-2,4-diamine |...)
Affinity DataKi:  284nMAssay Description:Binding affinity towards mutant dihydrofolate reductase (N51I+C59R+S108N+I164L DHFR) of Plasmodium falciparumMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM18779(6-ethyl-5-(4-methylphenyl)pyrimidine-2,4-diamine |...)
Affinity DataIC50:  1.27E+4nMAssay Description:Antiplasmodial activity (IC50) against Plasmodium falciparum Clone with mutant enzyme C59R+S108N- pfDihydrofolate reductase (K1CB1)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-hexosaminidase subunit alpha(Human)
Sickkids

Curated by ChEMBL
LigandPNGBDBM18779(6-ethyl-5-(4-methylphenyl)pyrimidine-2,4-diamine |...)
Affinity DataIC50:  4.00E+4nMAssay Description:Inhibition of human placental HexA using pNPGlcNAc substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed