BDBM50333943 CHEMBL1644461::N1-((2S,3S,5S)-5-((S)-1-(benzylamino)-3-methyl-1-oxobutan-2-ylcarbamoyl)-1-(benzyloxy)-3-hydroxy-6-methylheptan-2-yl)-5-(N-methylmethylsulfonamido)-N3-((R)-1-phenylethyl)isophthalamide

SMILES CC(C)[C@H](C[C@H](O)[C@H](COCc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1

InChI Key InChIKey=HEMFWPJCESMEDL-QBPLJRLLSA-N

Data  2 KI  2 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 = 50333943   

TargetCathepsin D(Human)
Medivir

Curated by ChEMBL
LigandPNGBDBM50333943(CHEMBL1644461 | N1-((2S,3S,5S)-5-((S)-1-(benzylami...)
Affinity DataKi:  3.30nMAssay Description:Inhibition of cathepsin DMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetRenin(Human)
Medivir

Curated by ChEMBL
LigandPNGBDBM50333943(CHEMBL1644461 | N1-((2S,3S,5S)-5-((S)-1-(benzylami...)
Affinity DataKi:  21nMAssay Description:Inhibition of reninMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetRenin(Human)
Medivir

Curated by ChEMBL
LigandPNGBDBM50333943(CHEMBL1644461 | N1-((2S,3S,5S)-5-((S)-1-(benzylami...)
Affinity DataIC50:  38nMAssay Description:Inhibition of reninMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetBeta-secretase 1(Human)
Medivir

Curated by ChEMBL
LigandPNGBDBM50333943(CHEMBL1644461 | N1-((2S,3S,5S)-5-((S)-1-(benzylami...)
Affinity DataIC50:  30nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed