BDBM50090076 1-(4-Chloro-phenyl)-6-methyl-1,6-dihydro-[1,3,5]triazine-2,4-diamine::CHEMBL93484

SMILES CC1N=C(N)N=C(N)N1c1ccc(Cl)cc1

InChI Key InChIKey=WHWDLTBBQLJYCJ-UHFFFAOYSA-N

Data  7 KI

  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 7 hits for monomerid = 50090076   

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

Curated by ChEMBL
LigandPNGBDBM50090076(1-(4-Chloro-phenyl)-6-methyl-1,6-dihydro-[1,3,5]tr...)
Affinity DataKi:  4.10nMAssay 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
LigandPNGBDBM50090076(1-(4-Chloro-phenyl)-6-methyl-1,6-dihydro-[1,3,5]tr...)
Affinity DataKi:  4.10nMAssay 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 [A16V,S108T](malaria parasite P. falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50090076(1-(4-Chloro-phenyl)-6-methyl-1,6-dihydro-[1,3,5]tr...)
Affinity DataKi:  127nMAssay 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
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50090076(1-(4-Chloro-phenyl)-6-methyl-1,6-dihydro-[1,3,5]tr...)
Affinity DataKi:  127nMAssay 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(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50090076(1-(4-Chloro-phenyl)-6-methyl-1,6-dihydro-[1,3,5]tr...)
Affinity DataKi:  134nMAssay 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
LigandPNGBDBM50090076(1-(4-Chloro-phenyl)-6-methyl-1,6-dihydro-[1,3,5]tr...)
Affinity DataKi:  1.58E+3nMAssay 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
LigandPNGBDBM50090076(1-(4-Chloro-phenyl)-6-methyl-1,6-dihydro-[1,3,5]tr...)
Affinity DataKi:  2.43E+3nMAssay 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