BDBM18781 5-(4-bromophenyl)-6-ethylpyrimidine-2,4-diamine::CHEMBL282275::P21

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

InChI Key InChIKey=QBWDUOPHQODKEA-UHFFFAOYSA-N

Data  6 KI  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 18781   

TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM18781(5-(4-bromophenyl)-6-ethylpyrimidine-2,4-diamine | ...)
Affinity DataIC50: 2.50E+4nMAssay 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)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM18781(5-(4-bromophenyl)-6-ethylpyrimidine-2,4-diamine | ...)
Affinity DataKi:  0.300nMAssay 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(malaria parasite P. vivax)
National Center For Genetic Engineering and Biotechnology At Thailand

LigandPNGBDBM18781(5-(4-bromophenyl)-6-ethylpyrimidine-2,4-diamine | ...)
Affinity DataKi:  0.780nM ΔG°:  -12.4kcal/mole IC50: 90nMpH: 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(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM18781(5-(4-bromophenyl)-6-ethylpyrimidine-2,4-diamine | ...)
Affinity DataKi:  0.840nMAssay 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
TargetBifunctional dihydrofolate reductase-thymidylate synthase [1-238,S58R,S117N](malaria parasite P. vivax)
National Center For Genetic Engineering and Biotechnology At Thailand

LigandPNGBDBM18781(5-(4-bromophenyl)-6-ethylpyrimidine-2,4-diamine | ...)
Affinity DataKi:  6.59nM IC50: 3.01E+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 Depth
Date in BDB:
11/5/2007
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM18781(5-(4-bromophenyl)-6-ethylpyrimidine-2,4-diamine | ...)
Affinity DataKi:  31.5nMAssay 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)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM18781(5-(4-bromophenyl)-6-ethylpyrimidine-2,4-diamine | ...)
Affinity DataKi:  44.3nMAssay 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