BDBM50036571 CHEMBL3354253

SMILES [H]/N=C/1\N[C@](C(=O)N1C)(CCC2CCCCC2)C[C@H]3CCC[C@H](C3)NC(=O)c4ccncc4

InChI Key InChIKey=NAGJGYNUXJYJOV-UHFFFAOYSA-N

Data  2 KI

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50036571   

TargetBeta-secretase 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50036571(CHEMBL3354253)
Affinity DataKi:  39nMAssay 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
LigandPNGBDBM50036571(CHEMBL3354253)
Affinity DataKi:  1.93E+4nMAssay 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