BDBM50322882 CHEMBL1210359::N-((1S,2R)-3-(((1S)-2-(CYCLOHEXYLAMINO)-1--METHYL-2-OXOETHYL)AMINO)-2-HYDROXY-1-(PHENYLMETHYL)PROPYL)-3-(ETHYLAMINO)-5-((METHYLSULFONYL)(PHENYL)AMINO)BENZAMIDE::N-((2S,3R)-4-((S)-1-(cyclohexylamino)-1-oxopropan-2-ylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(ethylamino)-5-(N-phenylmethylsulfonamido)benzamide

SMILES CCNc1cc(cc(c1)N(c2ccccc2)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CN[C@@H](C)C(=O)NC4CCCCC4)O

InChI Key InChIKey=SMMANAWVXZZNER-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 50322882   

TargetBeta-secretase 1(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50322882(N-((2S,3R)-4-((S)-1-(cyclohexylamino)-1-oxopropan-...)
Affinity DataIC50: 3nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50322882(N-((2S,3R)-4-((S)-1-(cyclohexylamino)-1-oxopropan-...)
Affinity DataIC50: 21nMAssay Description:Inhibition of BACE1 assessed as inhibition of amyloid beta-40 production by cell based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50322882(N-((2S,3R)-4-((S)-1-(cyclohexylamino)-1-oxopropan-...)
Affinity DataIC50: 53nMAssay Description:Inhibition of BACE1 assessed as inhibition of amyloid beta-42 production by cell based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetBeta-secretase 2(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50322882(N-((2S,3R)-4-((S)-1-(cyclohexylamino)-1-oxopropan-...)
Affinity DataIC50: 170nMAssay Description:Inhibition of BACE2More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetCathepsin D(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50322882(N-((2S,3R)-4-((S)-1-(cyclohexylamino)-1-oxopropan-...)
Affinity DataIC50: 630nMAssay Description:Inhibition of Cathepsin DMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed