BDBM50036582 CHEMBL3354255

SMILES [H]/N=C/1\N[C@](C(=O)N1C)(CCC2CCCCC2)C[C@H]3CCC[C@H](C3)NC(=O)Nc4ccccc4

InChI Key InChIKey=CVMRAJSOLFSMNH-UHFFFAOYSA-N

Data  2 KI

PDB links: 1 PDB ID matches this monomer.

  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 2 hits for monomerid = 50036582   

TargetBeta-secretase 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50036582(CHEMBL3354255)
Affinity DataKi:  16nMAssay Description:Inhibition of purified human BACE1 by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/15/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCathepsin D(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50036582(CHEMBL3354255)
Affinity DataKi:  7.10E+3nMAssay Description:Inhibition of cathepsin-D (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/15/2016
Entry Details Article
PubMed