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

SMILES CC1(N=C(N=C(N1c2ccc(c(c2)Cl)Cl)N)N)C

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
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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(malaria parasite P. 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 Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
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 reductaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetDihydrofolate reductase(Human)
University of Genoa

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 Depth
Date in BDB:
2/27/2020
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
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 Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed