BDBM50231682 CHEMBL251862::N-((2S,3R)-4-((S)-1-(cyclohexylamino)-1-oxopropan-2-ylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide

SMILES CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O

InChI Key InChIKey=ARWMRRUIIHCDKG-PWUSVURUSA-N

Data  15 IC50

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50231682   

TargetBeta-secretase 1(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50231682(CHEMBL251862 | N-((2S,3R)-4-((S)-1-(cyclohexylamin...)
Affinity DataIC50:  310nMAssay Description:Inhibition of BACE1 assessed as beta amyloid 40 production by cell based assayMore data for this Ligand-Target Pair
TargetCathepsin D(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50231682(CHEMBL251862 | N-((2S,3R)-4-((S)-1-(cyclohexylamin...)
Affinity DataIC50:  2.70E+3nMAssay Description:Inhibition of Cathepsin DMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50231682(CHEMBL251862 | N-((2S,3R)-4-((S)-1-(cyclohexylamin...)
Affinity DataIC50:  13nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
TargetBeta-secretase 1(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50231682(CHEMBL251862 | N-((2S,3R)-4-((S)-1-(cyclohexylamin...)
Affinity DataIC50:  310nMAssay Description:Inhibition of BACE1 expressed in SHSY5Y cells assessed as reduction of amyloid beta 40 productionMore data for this Ligand-Target Pair
TargetBeta-secretase 1(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50231682(CHEMBL251862 | N-((2S,3R)-4-((S)-1-(cyclohexylamin...)
Affinity DataIC50:  13nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
TargetBeta-secretase 1(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50231682(CHEMBL251862 | N-((2S,3R)-4-((S)-1-(cyclohexylamin...)
Affinity DataIC50:  360nMAssay Description:Inhibition of BACE1 expressed in SHSY5Y cells assessed as reduction of amyloid beta 42 productionMore data for this Ligand-Target Pair
TargetBeta-secretase 1(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50231682(CHEMBL251862 | N-((2S,3R)-4-((S)-1-(cyclohexylamin...)
Affinity DataIC50:  13nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
TargetBeta-secretase 1(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50231682(CHEMBL251862 | N-((2S,3R)-4-((S)-1-(cyclohexylamin...)
Affinity DataIC50:  307nMAssay Description:Inhibition of BACE1 assessed as inhibition of amyloid beta-40 production by cell based assayMore data for this Ligand-Target Pair
TargetBeta-secretase 1(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50231682(CHEMBL251862 | N-((2S,3R)-4-((S)-1-(cyclohexylamin...)
Affinity DataIC50:  363nMAssay Description:Inhibition of BACE1 assessed as inhibition of amyloid beta-42 production by cell based assayMore data for this Ligand-Target Pair
TargetBeta-secretase 2(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50231682(CHEMBL251862 | N-((2S,3R)-4-((S)-1-(cyclohexylamin...)
Affinity DataIC50:  1.81E+3nMAssay Description:Inhibition of BACE2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin D(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50231682(CHEMBL251862 | N-((2S,3R)-4-((S)-1-(cyclohexylamin...)
Affinity DataIC50:  2.70E+3nMAssay Description:Inhibition of cathepsin DMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 2(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50231682(CHEMBL251862 | N-((2S,3R)-4-((S)-1-(cyclohexylamin...)
Affinity DataIC50:  1.81E+3nMAssay Description:Inhibition of BACE2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin D(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50231682(CHEMBL251862 | N-((2S,3R)-4-((S)-1-(cyclohexylamin...)
Affinity DataIC50:  2.70E+3nMAssay Description:Inhibition of cathepsin DMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 2(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50231682(CHEMBL251862 | N-((2S,3R)-4-((S)-1-(cyclohexylamin...)
Affinity DataIC50:  1.81E+3nMAssay Description:Inhibition of BACE2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50231682(CHEMBL251862 | N-((2S,3R)-4-((S)-1-(cyclohexylamin...)
Affinity DataIC50:  360nMAssay Description:Inhibition of BACE1 assessed as beta amyloid 42 production by cell based assayMore data for this Ligand-Target Pair