BDBM18790 6-hexyl-5-phenylpyrimidine-2,4-diamine::CHEMBL416552::P39

SMILES CCCCCCc1nc(N)nc(N)c1-c1ccccc1

InChI Key InChIKey=DBCDYKFZHWOABJ-UHFFFAOYSA-N

Data  10 KI  7 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 5 hits for monomerid = 18790   

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

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 18790BDBM18790(6-hexyl-5-phenylpyrimidine-2,4-diamine | CHEMBL416...)
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(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 18790BDBM18790(6-hexyl-5-phenylpyrimidine-2,4-diamine | CHEMBL416...)
Affinity DataKi:  0.700nMAssay 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
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 18790BDBM18790(6-hexyl-5-phenylpyrimidine-2,4-diamine | CHEMBL416...)
Affinity DataKi:  1.20nMAssay 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
LigandChemical structure of BindingDB Monomer ID 18790BDBM18790(6-hexyl-5-phenylpyrimidine-2,4-diamine | CHEMBL416...)
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
TargetDihydrofolate reductase(Human)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 18790BDBM18790(6-hexyl-5-phenylpyrimidine-2,4-diamine | CHEMBL416...)
Affinity DataKi:  1.50E+4nMAssay Description:Cytotoxicity by selective inhibition against human dihydrofolate reductase (DHFR).More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed