BDBM18784 5-(3-chlorophenyl)-6-ethylpyrimidine-2,4-diamine::CHEMBL278847::P30

SMILES CCc1nc(N)nc(N)c1-c1cccc(Cl)c1

InChI Key InChIKey=KYIIICAIZHTXJE-UHFFFAOYSA-N

Data  14 KI  9 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 18784   

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

LigandPNGBDBM18784(5-(3-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Affinity DataKi:  0.310nM ΔG°:  -13.0kcal/mole IC50:  360nMpH: 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
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase [1-238,S58R,S117N](Plasmodium vivax (malaria parasite P. vivax))
National Center For Genetic Engineering And Biotechnology At Thailand

LigandPNGBDBM18784(5-(3-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Affinity DataKi:  0.540nM IC50:  300nMAssay 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 (isolate K1 / Thailand))
University Of Manchester

Curated by ChEMBL
LigandPNGBDBM18784(5-(3-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Affinity DataKi:  0.800nMAssay 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 (isolate K1 / Thailand))
University Of Manchester

Curated by ChEMBL
LigandPNGBDBM18784(5-(3-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Affinity DataKi:  0.800nMAssay 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 (isolate K1 / Thailand))
University Of Manchester

Curated by ChEMBL
LigandPNGBDBM18784(5-(3-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Affinity DataKi:  1.40nMAssay 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 (isolate K1 / Thailand))
University Of Manchester

Curated by ChEMBL
LigandPNGBDBM18784(5-(3-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Affinity DataKi:  1.60nMAssay Description:Inhibition of the S108N mutant of dihydrofolate reductase (DHFR)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
National Center For Genetic Engineering And Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM18784(5-(3-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Affinity DataKi:  1.60nMAssay Description:Inhibition of human DHFRMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
National Center For Genetic Engineering And Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM18784(5-(3-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Affinity DataKi:  1.60nMAssay 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
In DepthDetails ArticlePubMed
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 |...)
Affinity DataKi:  2.10nMAssay 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 (isolate K1 / Thailand))
University Of Manchester

Curated by ChEMBL
LigandPNGBDBM18784(5-(3-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
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 ArticlePubMed
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 |...)
Affinity DataKi:  2.70nMAssay 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 (isolate K1 / Thailand))
University Of Manchester

Curated by ChEMBL
LigandPNGBDBM18784(5-(3-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Affinity DataKi:  3.30nMAssay 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 (isolate K1 / Thailand))
University Of Manchester

Curated by ChEMBL
LigandPNGBDBM18784(5-(3-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Affinity DataKi:  72nMAssay Description:Inhibition constant against Plasmodium falciparum dihydrofolate reductaseChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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 |...)
Affinity DataIC50:  13nMAssay Description:Inhibitory activity against mutant Plasmodium falciparum DHFR-TSMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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 |...)
Affinity DataIC50:  9.10E+3nMAssay 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
In DepthDetails ArticlePubMed
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 |...)
Affinity DataIC50:  3.90E+3nMAssay Description:In vitro anti-plasmodial activity against Plasmodium falciparum with mutant N51I+C59R+S108N (W2) dihydrofolate reductase.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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 |...)
Affinity DataIC50:  1.30E+3nMAssay 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
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 |...)
Affinity DataIC50:  2.50E+3nMAssay 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
In DepthDetails ArticlePubMed
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 |...)
Affinity DataIC50:  2.70nMAssay Description:Inhibitory activity against recombinant wild type (WT) Plasmodium falciparum DHFR-TSMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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 |...)
Affinity DataIC50:  420nMAssay Description:In vitro anti-plasmodial activity against Plasmodium falciparum with wild type dihydrofolate reductase (TM4/8.2).More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed