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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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 18790   

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

LigandPNGBDBM18790(6-hexyl-5-phenylpyrimidine-2,4-diamine | CHEMBL416...)
Affinity DataIC50: 230nMpH: 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 Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM18790(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 DepthDetails Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM18790(6-hexyl-5-phenylpyrimidine-2,4-diamine | CHEMBL416...)
Affinity DataIC50: 3.00E+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 DepthDetails Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM18790(6-hexyl-5-phenylpyrimidine-2,4-diamine | CHEMBL416...)
Affinity DataIC50: 6.40E+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 DepthDetails Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM18790(6-hexyl-5-phenylpyrimidine-2,4-diamine | CHEMBL416...)
Affinity DataIC50: 2.30E+3nMAssay Description:In vitro anti-plasmodial activity against Plasmodium falciparum dihydrofolate reductase N51I/C59R/S108N (W2)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM18790(6-hexyl-5-phenylpyrimidine-2,4-diamine | CHEMBL416...)
Affinity DataIC50: 60nMAssay Description:In vitro anti-plasmodial activity against Plasmodium falciparum dihydrofolate reductase wild type (TM4/8.2)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM18790(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 DepthDetails Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM18790(6-hexyl-5-phenylpyrimidine-2,4-diamine | CHEMBL416...)
Affinity DataKi:  0.300nMAssay Description:Binding affinity towards wild-type dihydrofolate reductase of Plasmodium falciparum.More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM18790(6-hexyl-5-phenylpyrimidine-2,4-diamine | CHEMBL416...)
Affinity DataKi:  0.400nMAssay Description:Binding affinity towards mutant dihydrofolate reductase (N51I+C59R+S108N DHFR) of Plasmodium falciparumMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM18790(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 DepthDetails Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM18790(6-hexyl-5-phenylpyrimidine-2,4-diamine | CHEMBL416...)
Affinity DataKi:  0.700nMAssay Description:Binding affinity towards mutant dihydrofolate reductase (C59R+S108N+I164L DHFR) of Plasmodium falciparumMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase [1-238,S58R,S117N](malaria parasite P. vivax)
National Center For Genetic Engineering and Biotechnology At Thailand

LigandPNGBDBM18790(6-hexyl-5-phenylpyrimidine-2,4-diamine | CHEMBL416...)
Affinity DataKi:  0.900nM IC50: 3.02E+3nMAssay 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 Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM18790(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 DepthDetails Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM18790(6-hexyl-5-phenylpyrimidine-2,4-diamine | CHEMBL416...)
Affinity DataKi:  1.40nMAssay Description:Binding affinity towards mutant dihydrofolate reductase (N51I+C59R+S108N+I164L DHFR) of Plasmodium falciparumMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM18790(6-hexyl-5-phenylpyrimidine-2,4-diamine | CHEMBL416...)
Affinity DataKi:  10nMAssay Description:Inhibition constant against Plasmodium falciparum dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDihydrofolate reductase(Human)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM18790(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 DepthDetails Article
PubMed