BDBM20115 dipeptide-derived nitrile, 39::tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-(3-phenylphenyl)ethyl]carbamate

SMILES CC(C)(C)OC(=O)N[C@@H](Cc1cccc(c1)-c1ccccc1)C(=O)NCC#N

InChI Key InChIKey=XQLNGZGAQZEDSJ-IBGZPJMESA-N

Data  5 KI

  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 1 hit for monomerid = 20115   

TargetCathepsin B(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM20115(dipeptide-derived nitrile, 39 | tert-butyl N-[(1S)...)
Affinity DataKi:  5.35E+3nMpH: 6.0Assay Description:Inhibition of human liver cathepsin B using Cbz-Arg-Arg-pNA as substrate at pH 6 incubated for 30 mins measured for 20 mins by photometrical analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed