BDBM50110762 5-(3-Chloro-phenyl)-6-[3-(4-methoxy-phenyl)-propyl]-pyrimidine-2,4-diamine::5-(3-chlorophenyl)-6-(3-(4-methoxyphenyl)propyl)pyrimidine-2,4-diamine::CHEMBL278813

SMILES COc1ccc(CCCc2nc(N)nc(N)c2-c2cccc(Cl)c2)cc1

InChI Key InChIKey=NGXOWQSZWYMAKV-UHFFFAOYSA-N

Data  9 KI  5 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50110762   

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

Curated by ChEMBL
LigandPNGBDBM50110762(5-(3-Chloro-phenyl)-6-[3-(4-methoxy-phenyl)-propyl...)
Affinity DataIC50: 2.70E+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)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50110762(5-(3-Chloro-phenyl)-6-[3-(4-methoxy-phenyl)-propyl...)
Affinity DataIC50: 4.00E+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)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50110762(5-(3-Chloro-phenyl)-6-[3-(4-methoxy-phenyl)-propyl...)
Affinity DataIC50: 4.70E+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)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50110762(5-(3-Chloro-phenyl)-6-[3-(4-methoxy-phenyl)-propyl...)
Affinity DataIC50: 410nMAssay 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)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50110762(5-(3-Chloro-phenyl)-6-[3-(4-methoxy-phenyl)-propyl...)
Affinity DataIC50: 2.70E+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)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50110762(5-(3-Chloro-phenyl)-6-[3-(4-methoxy-phenyl)-propyl...)
Affinity DataKi:  1.30nMAssay 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)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50110762(5-(3-Chloro-phenyl)-6-[3-(4-methoxy-phenyl)-propyl...)
Affinity DataKi:  2nMAssay 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)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50110762(5-(3-Chloro-phenyl)-6-[3-(4-methoxy-phenyl)-propyl...)
Affinity DataKi:  2.20nMAssay 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
LigandPNGBDBM50110762(5-(3-Chloro-phenyl)-6-[3-(4-methoxy-phenyl)-propyl...)
Affinity DataKi:  2.20nMAssay 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)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50110762(5-(3-Chloro-phenyl)-6-[3-(4-methoxy-phenyl)-propyl...)
Affinity DataKi:  2.90nMAssay 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)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50110762(5-(3-Chloro-phenyl)-6-[3-(4-methoxy-phenyl)-propyl...)
Affinity DataKi:  4nMAssay 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
LigandPNGBDBM50110762(5-(3-Chloro-phenyl)-6-[3-(4-methoxy-phenyl)-propyl...)
Affinity DataKi:  6nMAssay 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
LigandPNGBDBM50110762(5-(3-Chloro-phenyl)-6-[3-(4-methoxy-phenyl)-propyl...)
Affinity DataKi:  11nMAssay 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
TargetDihydrofolate reductase(Human)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50110762(5-(3-Chloro-phenyl)-6-[3-(4-methoxy-phenyl)-propyl...)
Affinity DataKi: >5.00E+3nMAssay 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