BDBM10854 4-[(1S,4R,10S,13S,16S,18R)-10-{3-[(acetamidomethanimidoyl)amino]propyl}-18-hydroxy-16-(1H-imidazol-4-ylmethyl)-3,9,12,15,20-pentaoxo-2,8,11,14,17-pentaazatricyclo[15.2.1.0^{4,8}]icosan-13-yl]butanoic acid::Argadin::CHEMBL445236

SMILES CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O

InChI Key InChIKey=FOZYKTUSOWWQGR-UHFFFAOYSA-N

Data  1 KI  3 IC50  8 Kd

  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 = 10854   

TargetChitinase B(Serratia marcescens)
Kitasato University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 10854BDBM10854(4-[(1S,4R,10S,13S,16S,18R)-10-{3-[(acetamidomethan...)
Affinity DataIC50: 3.40nMAssay Description:Binding affinity to Serratia marcescens chitinase BMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetChitinase B(Serratia marcescens)
Kitasato University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 10854BDBM10854(4-[(1S,4R,10S,13S,16S,18R)-10-{3-[(acetamidomethan...)
Affinity DataKi:  20nM ΔG°:  -10.9kcal/molepH: 5.5 T: 2°CAssay Description:The IC50s of inhibitor against the human chitinase were determined using the fluorogenic substrate 4MU-NAG3. The fluorescence of the liberated 4MU wa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2006
Entry Details Article
PubMed