BDBM50316596 CHEMBL1098668::N-((S)-1-((2S,3S)-5-((R)-1-((S)-1-amino-4-methyl-1-oxopentan-2-ylamino)-3-chloro-1-oxopropan-2-ylamino)-3-hydroxy-5-oxo-1-phenylpentan-2-ylamino)-3-methyl-1-oxobutan-2-yl)picolinamide

SMILES CC(C)C[C@H](NC(=O)[C@H](CCl)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O

InChI Key InChIKey=AWQGEUFVOMSATO-CPHHOOCTSA-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 = 50316596   

TargetPlasmepsin II(Plasmodium falciparum)
Wayne State University

Curated by ChEMBL
LigandPNGBDBM50316596(CHEMBL1098668 | N-((S)-1-((2S,3S)-5-((R)-1-((S)-1-...)
Affinity DataKi:  35.7nMAssay Description:Inhibition of Plasmodium falciparum plasmepsin 2 expressed in Escherichia coli BL21 (DE3) after 40 mins by Kitz-Wilson plot analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPlasmepsin II(Plasmodium falciparum)
Wayne State University

Curated by ChEMBL
LigandPNGBDBM50316596(CHEMBL1098668 | N-((S)-1-((2S,3S)-5-((R)-1-((S)-1-...)
Affinity DataIC50:  28nMAssay Description:Inhibition of recombinant Plasmodium falciparum Plasmepsin 2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin D(Homo sapiens (Human))
Wayne State University

Curated by ChEMBL
LigandPNGBDBM50316596(CHEMBL1098668 | N-((S)-1-((2S,3S)-5-((R)-1-((S)-1-...)
Affinity DataIC50:  50nMAssay Description:Inhibition of human cathepsin D after 30 mins by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPlasmepsin II(Plasmodium falciparum)
Wayne State University

Curated by ChEMBL
LigandPNGBDBM50316596(CHEMBL1098668 | N-((S)-1-((2S,3S)-5-((R)-1-((S)-1-...)
Affinity DataIC50:  28nMAssay Description:Competitive inhibition of Plasmodium falciparum plasmepsin 2 expressed in Escherichia coli BL21 (DE3) after 30 mins by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed