BDBM50090069 1-(3,4-Dichloro-phenyl)-6,6-dimethyl-1,6-dihydro-[1,3,5]triazine-2,4-diamine::CHEMBL92583

SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)c(Cl)c1

InChI Key InChIKey=FPULLBVUFHTKQQ-UHFFFAOYSA-N

Data  4 KI

PDB links: 1 PDB ID matches this monomer.

  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 4 hits for monomerid = 50090069   

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

Curated by ChEMBL
LigandPNGBDBM50090069(1-(3,4-Dichloro-phenyl)-6,6-dimethyl-1,6-dihydro-[...)
Affinity DataKi:  1.10nMAssay 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))
Università

Curated by ChEMBL
LigandPNGBDBM50090069(1-(3,4-Dichloro-phenyl)-6,6-dimethyl-1,6-dihydro-[...)
Affinity DataKi:  1.10nMAssay Description:Inhibition constant against Plasmodium falciparum dihydrofolate reductaseChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50090069(1-(3,4-Dichloro-phenyl)-6,6-dimethyl-1,6-dihydro-[...)
Affinity DataKi:  110nMAssay Description:Inhibition of human DHFR using dihydrofolate as substrate after 180 secs by spectrophotometric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase [A16V,S108T](Plasmodium falciparum)
National Center For Genetic Engineering And Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50090069(1-(3,4-Dichloro-phenyl)-6,6-dimethyl-1,6-dihydro-[...)
Affinity DataKi:  131nMAssay Description:Inhibition constant (Ki mut) against A16V+S108T Mutant DHFRs of Plasmodium falciparumMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed