BDBM22142 aza-peptide Michael acceptor, 5v::benzyl N-[(1S)-1-{[(1S)-1-[N'-(carbamoylmethyl)-N'-[(2E)-4-(2,3-dihydro-1H-isoindol-2-yl)-4-oxobut-2-enoyl]hydrazinecarbonyl]ethyl]carbamoyl}ethyl]carbamate

SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N1Cc2ccccc2C1

InChI Key InChIKey=YKPSWMYECPVLDI-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 22142   

TargetLegumain(Blood fluke)
Georgia Institute of Technology

LigandPNGBDBM22142(benzyl N-[(1S)-1-{[(1S)-1-[N'-(carbamoylmethyl)-N'...)
Affinity DataIC50: 300nMT: 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

LigandPNGBDBM22142(benzyl N-[(1S)-1-{[(1S)-1-[N'-(carbamoylmethyl)-N'...)
Affinity DataIC50: 20nMT: 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

LigandPNGBDBM22142(benzyl N-[(1S)-1-{[(1S)-1-[N'-(carbamoylmethyl)-N'...)
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