BDBM50393887 CHEMBL2158257

SMILES CC(C)Cn1cc2[C@H](CC(C)(C)Cc2n1)NC[C@@H](O)[C@H](Cc1ccccc1)NC(C)=O

InChI Key InChIKey=PISWYTCLVHPEEE-UHFFFAOYSA-N

Data  1 KI  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 4 hits for monomerid = 50393887   

TargetBeta-secretase 1(Human)
Medivir

Curated by ChEMBL
LigandPNGBDBM50393887(CHEMBL2158257)
Affinity DataIC50: 150nMAssay Description:Inhibition of human BACE1 expressed in Escherichia coli BL21(DE3) using Eu-EVNLDAEFK as substrate incubated for 30 mins prior to substrate addition m...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
Medivir

Curated by ChEMBL
LigandPNGBDBM50393887(CHEMBL2158257)
Affinity DataIC50: 19nMAssay Description:Inhibition of BACE1 in human HEK cells expressing APP Swedish mutant assessed as reduction in amyloid beta40 level by ELISAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetBeta-secretase 2(Human)
Medivir

Curated by ChEMBL
LigandPNGBDBM50393887(CHEMBL2158257)
Affinity DataIC50: 22nMAssay Description:Inhibition of BACE2More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCathepsin D(Human)
Medivir

Curated by ChEMBL
LigandPNGBDBM50393887(CHEMBL2158257)
Affinity DataKi:  240nMAssay Description:Inhibition of human cathepsin D using DAB-CYL-Glu-ArG-Nle-Phe-Leu-Ser-Phe-Pro-EDANS incubated for 20 mins prior to substrate addition measured after ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed