BDBM50306592 3-(4-((S)-3-methyl-2-(quinolin-6-ylmethylamino)butan-2-yl)-1H-1,2,3-triazol-1-yl)-1-(2,3,5,6-tetrafluorophenoxy)heptan-2-one::CHEMBL600002

SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccc2ncccc2c1)C(C)C

InChI Key InChIKey=YXKHZYNSINIHQT-FZNWDQQTSA-N

Data  1 KI  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50306592   

TargetCruzipain(Trypanosoma cruzi)
University Of California

Curated by ChEMBL
LigandPNGBDBM50306592(3-(4-((S)-3-methyl-2-(quinolin-6-ylmethylamino)but...)
Affinity DataKi:  460nMAssay Description:Inhibition of Trypanosoma cruzi cruzainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCruzipain(Trypanosoma cruzi)
University Of California

Curated by ChEMBL
LigandPNGBDBM50306592(3-(4-((S)-3-methyl-2-(quinolin-6-ylmethylamino)but...)
Affinity DataIC50:  370nMAssay Description:Inhibition of Trypanosoma cruzi CruzainMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCruzipain(Trypanosoma cruzi)
University Of California

Curated by ChEMBL
LigandPNGBDBM50306592(3-(4-((S)-3-methyl-2-(quinolin-6-ylmethylamino)but...)
Affinity DataIC50:  370nMAssay Description:Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate after 5 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
University Of California

Curated by ChEMBL
LigandPNGBDBM50306592(3-(4-((S)-3-methyl-2-(quinolin-6-ylmethylamino)but...)
Affinity DataIC50:  3.80E+3nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed