BDBM50546793 CHEMBL4792093

SMILES CS(=O)(=O)N1CCN(CC1)c1ccc2nncn2n1

InChI Key InChIKey=UNYVOSROGSXTRY-UHFFFAOYSA-N

Data  2 Kd

PDB links: 1 PDB ID matches 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 2 hits for monomerid = 50546793   

TargetCathepsin S(Human)
Grunenthal

Curated by ChEMBL
LigandPNGBDBM50546793(CHEMBL4792093)
Affinity DataKd:  9.60E+4nMAssay Description:Binding affinity to 15N-labeled His6-tagged Cathepsin S (unknown origin) expressed in Escherichia coli by 2D 15N-HSQC-NMR analysisMore data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetCathepsin S(Human)
Grunenthal

Curated by ChEMBL
LigandPNGBDBM50546793(CHEMBL4792093)
Affinity DataKd:  9.60E+4nMAssay Description:Binding affinity to S2 pocket of full-length human cathepsin SMore data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)