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-KNPYFFGGSA-N

Data  1 KI  3 IC50  8 Kd

PDB links: 2 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 10854   

TargetChitinase B(Serratia marcescens)
University Of Dundee

LigandPNGBDBM10854(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 DepthDetails ArticlePubMed
TargetChitotriosidase-1(Homo sapiens (Human))
University Of Dundee

LigandPNGBDBM10854(4-[(1S,4R,10S,13S,16S,18R)-10-{3-[(acetamidomethan...)
Affinity DataIC50:  13nMpH: 5.2 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
TargetEndochitinase B1(Aspergillus fumigatus)
University Of Dundee

LigandPNGBDBM10854(4-[(1S,4R,10S,13S,16S,18R)-10-{3-[(acetamidomethan...)
Affinity DataKd:  810nMAssay Description:Fluorescence measurements were carried out with a Varian Cary Eclipse fluorescence spectrophotometer. Emission spectra were recorded from 330-360 nm ...More data for this Ligand-Target Pair
TargetEndochitinase B1 [D175A](Aspergillus fumigatus)
University Of Dundee

LigandPNGBDBM10854(4-[(1S,4R,10S,13S,16S,18R)-10-{3-[(acetamidomethan...)
Affinity DataKd:  3.60E+3nMAssay Description:Fluorescence measurements were carried out with a Varian Cary Eclipse fluorescence spectrophotometer. Emission spectra were recorded from 330-360 nm ...More data for this Ligand-Target Pair
TargetChitinase B(Serratia marcescens)
University Of Dundee

LigandPNGBDBM10854(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 DepthDetails ArticlePubMed
TargetEndochitinase B1 [R301K](Aspergillus fumigatus)
University Of Dundee

LigandPNGBDBM10854(4-[(1S,4R,10S,13S,16S,18R)-10-{3-[(acetamidomethan...)
Affinity DataKd:  1.02E+3nMAssay Description:Fluorescence measurements were carried out with a Varian Cary Eclipse fluorescence spectrophotometer. Emission spectra were recorded from 330-360 nm ...More data for this Ligand-Target Pair
TargetEndochitinase B1 [A217G](Aspergillus fumigatus)
University Of Dundee

LigandPNGBDBM10854(4-[(1S,4R,10S,13S,16S,18R)-10-{3-[(acetamidomethan...)
Affinity DataKd:  2.84E+3nMAssay Description:Fluorescence measurements were carried out with a Varian Cary Eclipse fluorescence spectrophotometer. Emission spectra were recorded from 330-360 nm ...More data for this Ligand-Target Pair
TargetEndochitinase B1 [M243A](Aspergillus fumigatus)
University Of Dundee

LigandPNGBDBM10854(4-[(1S,4R,10S,13S,16S,18R)-10-{3-[(acetamidomethan...)
Affinity DataKd:  9.39E+3nMAssay Description:Fluorescence measurements were carried out with a Varian Cary Eclipse fluorescence spectrophotometer. Emission spectra were recorded from 330-360 nm ...More data for this Ligand-Target Pair
TargetEndochitinase B1 [T138A](Aspergillus fumigatus)
University Of Dundee

LigandPNGBDBM10854(4-[(1S,4R,10S,13S,16S,18R)-10-{3-[(acetamidomethan...)
Affinity DataKd:  3.04E+3nMAssay Description:Fluorescence measurements were carried out with a Varian Cary Eclipse fluorescence spectrophotometer. Emission spectra were recorded from 330-360 nm ...More data for this Ligand-Target Pair
TargetEndochitinase B1 [E322A](Aspergillus fumigatus)
University Of Dundee

LigandPNGBDBM10854(4-[(1S,4R,10S,13S,16S,18R)-10-{3-[(acetamidomethan...)
Affinity DataKd:  2.93E+3nMAssay Description:Fluorescence measurements were carried out with a Varian Cary Eclipse fluorescence spectrophotometer. Emission spectra were recorded from 330-360 nm ...More data for this Ligand-Target Pair
TargetEndochitinase B1(Aspergillus fumigatus)
University Of Dundee

LigandPNGBDBM10854(4-[(1S,4R,10S,13S,16S,18R)-10-{3-[(acetamidomethan...)
Affinity DataIC50:  500nMpH: 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
TargetEndochitinase B1 [Y245F](Aspergillus fumigatus)
University Of Dundee

LigandPNGBDBM10854(4-[(1S,4R,10S,13S,16S,18R)-10-{3-[(acetamidomethan...)
Affinity DataKd:  5.57E+3nMAssay Description:Fluorescence measurements were carried out with a Varian Cary Eclipse fluorescence spectrophotometer. Emission spectra were recorded from 330-360 nm ...More data for this Ligand-Target Pair