BDBM16503 CA inhibitor 6::CA074Me::PrNH-tES-Ile-Pro-OMe::epoxysuccinyl derivative 6::methyl (2S)-1-[(2S,3S)-3-methyl-2-{[(2S,3S)-3-(propylcarbamoyl)oxiran-2-yl]formamido}pentanoyl]pyrrolidine-2-carboxylate::methyl N-{[(2S,3S)-3-(propylcarbamoyl)oxiran-2-yl]carbonyl}-L-isoleucyl-L-prolinate

SMILES CCCNC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)OC

InChI Key InChIKey=XGWSRLSPWIEMLQ-UHFFFAOYSA-N

Data  2 IC50

  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 = 16503   

TargetCathepsin B(Bovine)
Osaka University of Pharmaceutical Sciences

LigandPNGBDBM16503(CA074Me | CA inhibitor 6 | methyl N-{[(2S,3S)-3-(p...)
Affinity DataIC50: 6.80E+4nMpH: 6.0 T: 2°CAssay Description:Inhibitory activities (IC50, concentration of 50% inhibition) of compounds for bovine CB in vitro were determined by monitoring the cleavage of fluor...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/3/2007
Entry Details Article
PubMed
TargetCathepsin B(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM16503(CA074Me | CA inhibitor 6 | methyl N-{[(2S,3S)-3-(p...)
Affinity DataIC50: 80nMAssay Description:Inhibition of cathepsin-B using Z-Arg-Arg AMC as substrate by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed