BDBM50090063 1-(3-Chloro-phenyl)-6-phenyl-1,6-dihydro-[1,3,5]triazine-2,4-diamine::1-(3-chlorophenyl)-6-phenyl-1,6-dihydro-1,3,5-triazine-2,4-diamine::CHEMBL329687

SMILES NC1=NC(N(C(N)=N1)c1cccc(Cl)c1)c1ccccc1

InChI Key InChIKey=XWGKYMBFBXACSF-UHFFFAOYSA-N

Data  7 KI  6 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50090063   

TargetBifunctional dihydrofolate reductase-thymidylate synthase [A16V,S108T](Plasmodium falciparum)
National Center For Genetic Engineering And Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50090063(1-(3-Chloro-phenyl)-6-phenyl-1,6-dihydro-[1,3,5]tr...)
Affinity DataKi:  10nMAssay Description:Evaluated for inhibition constant (Ki mut) against A16V+S108T Mutant dihydrofolate reductase of Plasmodium falciparumMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
National Center For Genetic Engineering And Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50090063(1-(3-Chloro-phenyl)-6-phenyl-1,6-dihydro-[1,3,5]tr...)
Affinity DataKi:  10.5nMAssay Description:Binding affinity towards mutant dihydrofolate reductase (A16V+S108T DHFR) of Plasmodium falciparum.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
National Center For Genetic Engineering And Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50090063(1-(3-Chloro-phenyl)-6-phenyl-1,6-dihydro-[1,3,5]tr...)
Affinity DataKi:  11.7nMAssay Description:Binding affinity towards wild-type dihydrofolate reductase of Plasmodium falciparum.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum)
National Center For Genetic Engineering And Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50090063(1-(3-Chloro-phenyl)-6-phenyl-1,6-dihydro-[1,3,5]tr...)
Affinity DataKi:  11.7nMAssay Description:Evaluated for inhibition constant (Ki wt) against Wild-type dihydrofolate reductase of Plasmodium falciparumMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
National Center For Genetic Engineering And Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50090063(1-(3-Chloro-phenyl)-6-phenyl-1,6-dihydro-[1,3,5]tr...)
Affinity DataKi:  111nMAssay Description:Binding affinity towards mutant dihydrofolate reductase (N51I+C59R+S108N DHFR) of Plasmodium falciparumMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
National Center For Genetic Engineering And Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50090063(1-(3-Chloro-phenyl)-6-phenyl-1,6-dihydro-[1,3,5]tr...)
Affinity DataKi:  217nMAssay Description:Binding affinity towards mutant dihydrofolate reductase (C59R+S108N+I164L DHFR) of Plasmodium falciparumMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
National Center For Genetic Engineering And Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50090063(1-(3-Chloro-phenyl)-6-phenyl-1,6-dihydro-[1,3,5]tr...)
Affinity DataKi:  984nMAssay Description:Binding affinity towards mutant dihydrofolate reductase (N51I+C59R+S108N+I164L DHFR) of Plasmodium falciparumMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
National Center For Genetic Engineering And Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50090063(1-(3-Chloro-phenyl)-6-phenyl-1,6-dihydro-[1,3,5]tr...)
Affinity DataIC50:  560nMAssay Description:In vitro anti-plasmodial activity against Plasmodium falciparum with wild type dihydrofolate reductase (TM4/8.2).More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
National Center For Genetic Engineering And Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50090063(1-(3-Chloro-phenyl)-6-phenyl-1,6-dihydro-[1,3,5]tr...)
Affinity DataIC50:  20nMAssay Description:In vitro anti-plasmodial activity against Plasmodium falciparum with mutant A16V+S108T (T9/94RC17) dihydrofolate reductase.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
National Center For Genetic Engineering And Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50090063(1-(3-Chloro-phenyl)-6-phenyl-1,6-dihydro-[1,3,5]tr...)
Affinity DataIC50:  200nMAssay Description:In vitro anti-plasmodial activity against Plasmodium falciparum with mutant N51I+C59R+S108N (W2) dihydrofolate reductase.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
National Center For Genetic Engineering And Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50090063(1-(3-Chloro-phenyl)-6-phenyl-1,6-dihydro-[1,3,5]tr...)
Affinity DataIC50:  250nMAssay Description:In vitro anti-plasmodial activity against Plasmodium falciparum with mutant C59R+S108N+I164L (Csl-2) dihydrofolate reductase.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
National Center For Genetic Engineering And Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50090063(1-(3-Chloro-phenyl)-6-phenyl-1,6-dihydro-[1,3,5]tr...)
Affinity DataIC50:  800nMAssay Description:In vitro anti-plasmodial activity against Plasmodium falciparum with mutant CN51I+C59R+S108N+I164L (V1/S) dihydrofolate reductase.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
National Center For Genetic Engineering And Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50090063(1-(3-Chloro-phenyl)-6-phenyl-1,6-dihydro-[1,3,5]tr...)
Affinity DataIC50:  310nMAssay Description:In vitro anti-plasmodial activity against Plasmodium falciparum with mutant C59R+S108N (K1CB1) dihydrofolate reductase.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed