BDBM152724 2477

SMILES c1ccc(cc1)COC(=O)NCC#N

InChI Key InChIKey=DVUXKEFDAGQPQU-UHFFFAOYSA-N

Data  2 KI  2 IC50

PDB links: 2 PDB IDs match 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 = 152724   

TargetStreptopain(Streptococcus pyogenes (Firmicutes))
The Scripps Research Institute

LigandPNGBDBM152724(2477)
Affinity DataKi:  8.00E+3nM IC50: 1.40E+4nMpH: 7.4Assay Description:SpeB was incubated at 50 nM in the presence of increasing amounts of inhibitor (3 μM to 200 μM) in a reaction buffer consisting of PBS at p...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/21/2015
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPapain(Papaya)
The Scripps Research Institute

LigandPNGBDBM152724(2477)
Affinity DataKi:  4.50E+4nM IC50: 7.70E+4nMpH: 7.4Assay Description:SpeB was incubated at 50 nM in the presence of increasing amounts of inhibitor (3 μM to 200 μM) in a reaction buffer consisting of PBS at p...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/21/2015
Entry Details Article
PubMed