BDBM50231673 CHEMBL402171::N-((2S,3R)-4-((1-ethyl-1H-pyrazol-4-yl)methylamino)-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)CNCc1cnn(CC)c1)N1CCCC1=O

InChI Key InChIKey=VQBBFJFTEHVVJZ-RRPNLBNLSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50231673   

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

Curated by ChEMBL
LigandPNGBDBM50231673(CHEMBL402171 | N-((2S,3R)-4-((1-ethyl-1H-pyrazol-4...)
Affinity DataIC50:  230nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin D(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50231673(CHEMBL402171 | N-((2S,3R)-4-((1-ethyl-1H-pyrazol-4...)
Affinity DataIC50:  4.68E+4nMAssay Description:Inhibition of cathepsin DMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 2(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50231673(CHEMBL402171 | N-((2S,3R)-4-((1-ethyl-1H-pyrazol-4...)
Affinity DataIC50:  3.31E+4nMAssay Description:Inhibition of BACE2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed