BDBM50090054 1-(3-Chloro-phenyl)-6,6-dimethyl-1,6-dihydro-[1,3,5]triazine-2,4-diamine::1-(3-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine::CHEMBL7130

SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(Cl)c1

InChI Key InChIKey=AXIUXECRTOGILY-UHFFFAOYSA-N

Data  16 KI  6 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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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 50090054   

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

Curated by ChEMBL
LigandPNGBDBM50090054(1-(3-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-...)
Affinity DataIC50: 220nMAssay 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
LigandPNGBDBM50090054(1-(3-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-...)
Affinity DataIC50: 50nMAssay 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
LigandPNGBDBM50090054(1-(3-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-...)
Affinity DataIC50: 220nMAssay Description:In vitro anti-plasmodial activity against Plasmodium falciparum dihydrofolate reductase C59R/S108N (K1CB1) 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
LigandPNGBDBM50090054(1-(3-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-...)
Affinity DataIC50: 1.30E+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
LigandPNGBDBM50090054(1-(3-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-...)
Affinity DataIC50: 520nMAssay 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
LigandPNGBDBM50090054(1-(3-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-...)
Affinity DataIC50: 330nMAssay Description:In vitro anti-plasmodial activity against Plasmodium falciparum dihydrofolate reductase A16V/S108T (T9/94RC17) 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
LigandPNGBDBM50090054(1-(3-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-...)
Affinity DataKi:  2.20nMAssay 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
LigandPNGBDBM50090054(1-(3-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-...)
Affinity DataKi:  3nMAssay 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
TargetDihydrofolate reductase(Lactobacillus casei)
TBA

Curated by ChEMBL
LigandPNGBDBM50090054(1-(3-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-...)
Affinity DataKi:  3.5nMAssay Description:Inhibitory activity against Lactobacillus casei dihydrofolate reductase (DHFR)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2018
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(malaria parasite P. falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50090054(1-(3-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-...)
Affinity DataKi:  3.70nMAssay Description:Evaluated for inhibition constant (Ki wt) against Wild-type dihydrofolate reductase 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
LigandPNGBDBM50090054(1-(3-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-...)
Affinity DataKi:  14nMAssay 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
TargetDihydrofolate reductase(Escherichia coli (strain K12))
Cor Therapeutics

Curated by ChEMBL
LigandPNGBDBM50090054(1-(3-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-...)
Affinity DataKi:  22.4nMAssay Description:Inhibition of dihydrofolate reductase from Pneumocystis carinii.More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/19/2013
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50090054(1-(3-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-...)
Affinity DataKi:  25nMAssay 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
TargetDihydrofolate reductase(Chicken)
TBA

Curated by ChEMBL
LigandPNGBDBM50090054(1-(3-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-...)
Affinity DataKi:  44nMAssay Description:Inhibitory activity against isolated chicken liver dihydrofolate reductase (DHFR)More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/19/2013
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50090054(1-(3-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-...)
Affinity DataKi:  90nMAssay 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)
Cor Therapeutics

Curated by ChEMBL
LigandPNGBDBM50090054(1-(3-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-...)
Affinity DataKi:  93.3nMAssay Description:Inhibition of human dihydrofolate reductase (DHFR) enzymeMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/19/2013
Entry Details Article
PubMed
TargetDihydrofolate reductase(Human)
Cor Therapeutics

Curated by ChEMBL
LigandPNGBDBM50090054(1-(3-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-...)
Affinity DataKi:  100nMAssay Description:Inhibition of human DHFR using dihydrofolate as substrate after 180 secs by spectrophotometric analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2020
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50090054(1-(3-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-...)
Affinity DataKi:  308nMAssay Description:Binding affinity towards mutant dihydrofolate reductase (A16V+S108T DHFR) 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 [A16V,S108T](malaria parasite P. falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50090054(1-(3-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-...)
Affinity DataKi:  340nMAssay Description:Inhibition constant (Ki mut) against A16V+S108T Mutant DHFRs of Plasmodium falciparumMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
LigandPNGBDBM50090054(1-(3-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-...)
Affinity DataKi:  1.20E+3nMAssay Description:Inhibition of dihydrofolate reductase (DHFR) from Leishmania majorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/15/2012
Entry Details Article
PubMed
TargetDihydrofolate reductase type 1(Escherichia coli)
TBA

Curated by ChEMBL
LigandPNGBDBM50090054(1-(3-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-...)
Affinity DataKi:  1.35E+3nMAssay Description:Inhibition of Escherichia coli dihydrofolate reductase.More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2018
Entry Details Article
PubMed
TargetDihydrofolate reductase(Escherichia coli)
Uniroyal Chemical

Curated by ChEMBL
LigandPNGBDBM50090054(1-(3-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-...)
Affinity DataKi:  1.35E+3nMAssay Description:Inhibition constant against binding of Escherichia coli dihydrofolate reductaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/2/2019
Entry Details Article
PubMed