BDBM50345415 5-Methyl-N-(4-(trifuoromethylthio)phenyl)-[1,2,4]triazolo[1,5-a]-pyrimidin-7-amine::CHEMBL1784566::US9238653, Table 5, Compound 25

SMILES Cc1cc(Nc2ccc(SC(F)(F)F)cc2)n2ncnc2n1

InChI Key InChIKey=ROYIMTINMNZLOM-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 50345415   

TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Plasmodium falciparum (isolate 3D7))
University Of Texas

US Patent
LigandPNGBDBM50345415(5-Methyl-N-(4-(trifuoromethylthio)phenyl)-[1,2,4]t...)
Affinity DataIC50: 610nMpH: 8.0Assay Description:For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2016
Entry Details
Go to US Patent

TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Human)
University of Washington

Curated by ChEMBL
LigandPNGBDBM50345415(5-Methyl-N-(4-(trifuoromethylthio)phenyl)-[1,2,4]t...)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of His6-tagged recombinant human dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as substrate after 10 t...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/5/2011
Entry Details Article
PubMed
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(malaria parasite P. falciparum)
University of Washington

Curated by ChEMBL
LigandPNGBDBM50345415(5-Methyl-N-(4-(trifuoromethylthio)phenyl)-[1,2,4]t...)
Affinity DataIC50: 610nMAssay Description:Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/5/2011
Entry Details Article
PubMed