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)
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 Depth
Date in BDB:
11/10/2012
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
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 Depth
Date in BDB:
11/10/2012
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
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 K1CB1 DHFR double-mutant (C59R/S10)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
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 dihydrofolate reductase CN51I/C59R/S108N/I164L (V1/S) mutantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
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 dihydrofolate reductase N51I/C59R/S108N (W2)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
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 dihydrofolate reductase C59R+S108N/I164L (Csl-2) mutantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
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 dihydrofolate reductase wild type (TM4/8.2)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
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 Depth
Date in BDB:
11/10/2012
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(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 Depth
Date in BDB:
11/5/2007
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase [1-238,S58R,S117N](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 Depth
Date in BDB:
11/5/2007
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
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 Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
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 Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
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 Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetDihydrofolate reductase(Human)
National Science and Technology Development Agency

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 Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetDihydrofolate reductase(Human)
National Science and Technology Development Agency

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 Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
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 Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
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 Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
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 Depth
Date in BDB:
11/10/2012
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
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 Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
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 Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
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 reductaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed