BDBM22114 aza-peptide Michael acceptor, 7a::ethyl (2E)-4-[(2S)-2-[(2S)-2-{[(benzyloxy)carbonyl]amino}propanamido]-N'-(carbamoylmethyl)propanehydrazido]-4-oxobut-2-enoate

SMILES CCOC(=O)C=CC(=O)N(CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1

InChI Key InChIKey=YGVKPQSVBJEMMQ-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 22114   

TargetLegumain(Blood fluke)
Georgia Institute of Technology

LigandPNGBDBM22114(ethyl (2E)-4-[(2S)-2-[(2S)-2-{[(benzyloxy)carbonyl...)
Affinity DataIC50: 31nMpH: 6.8 T: 2°CAssay Description:AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/9/2008
Entry Details Article
PubMed
TargetClan CD, family C13, asparaginyl endopeptidase-like cysteine peptidase(Trichomonas vaginalis G3)
Georgia Institute of Technology

LigandPNGBDBM22114(ethyl (2E)-4-[(2S)-2-[(2S)-2-{[(benzyloxy)carbonyl...)
Affinity DataIC50: 4.5nMpH: 6.8 T: 2°CAssay Description:AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/9/2008
Entry Details Article
PubMed
TargetLegumain(Common tick)
Georgia Institute of Technology

LigandPNGBDBM22114(ethyl (2E)-4-[(2S)-2-[(2S)-2-{[(benzyloxy)carbonyl...)
Affinity DataIC50: 4.5nMT: 2°CAssay Description:AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/9/2008
Entry Details Article
PubMed