BDBM10853 (2R,5S,8S,11S,15S)-8-benzyl-2,7-dimethyl-5-[3-({[(methylcarbamoyl)amino]methanimidoyl}amino)propyl]-3,6,9,13,17-pentaoxo-1,4,7,10,14-pentaazacycloheptadecane-11,15-dicarboxylic acid::Argifin

SMILES CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O

InChI Key InChIKey=UHBHXSDKGLPPGO-HTDHLNIYSA-N

Data  1 KI  5 IC50  7 Kd

PDB links: 2 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 10853   

TargetChitinase B(Serratia marcescens)
University of Dundee

LigandPNGBDBM10853((2R,5S,8S,11S,15S)-8-benzyl-2,7-dimethyl-5-[3-({[(...)
Affinity DataKi:  3.30E+4nM ΔG°:  -6.36kcal/molepH: 5.5 T: 37°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(Human)
University of Dundee

LigandPNGBDBM10853((2R,5S,8S,11S,15S)-8-benzyl-2,7-dimethyl-5-[3-({[(...)
Affinity DataIC50:  4.50E+3nMpH: 5.2 T: 37°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(Neosartorya fumigata)
University of Dundee

LigandPNGBDBM10853((2R,5S,8S,11S,15S)-8-benzyl-2,7-dimethyl-5-[3-({[(...)
Affinity DataKd:  460nMAssay 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

LigandPNGBDBM10853((2R,5S,8S,11S,15S)-8-benzyl-2,7-dimethyl-5-[3-({[(...)
Affinity DataKd:  3.81E+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 [R301K](Aspergillus fumigatus)
University of Dundee

LigandPNGBDBM10853((2R,5S,8S,11S,15S)-8-benzyl-2,7-dimethyl-5-[3-({[(...)
Affinity DataKd:  2.16E+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 A1(Neosartorya fumigata)
University of Dundee

LigandPNGBDBM10853((2R,5S,8S,11S,15S)-8-benzyl-2,7-dimethyl-5-[3-({[(...)
Affinity DataIC50: >3.80E+6nMpH: 5.5 T: 37°CAssay Description:Enzyme inhibition assay using chitinase A1 from aspergillus fumigatus.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEndochitinase B1 [M243A](Aspergillus fumigatus)
University of Dundee

LigandPNGBDBM10853((2R,5S,8S,11S,15S)-8-benzyl-2,7-dimethyl-5-[3-({[(...)
Affinity DataKd:  1.73E+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

LigandPNGBDBM10853((2R,5S,8S,11S,15S)-8-benzyl-2,7-dimethyl-5-[3-({[(...)
Affinity DataKd:  1.21E+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

LigandPNGBDBM10853((2R,5S,8S,11S,15S)-8-benzyl-2,7-dimethyl-5-[3-({[(...)
Affinity DataKd:  1.37E+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(Neosartorya fumigata)
University of Dundee

LigandPNGBDBM10853((2R,5S,8S,11S,15S)-8-benzyl-2,7-dimethyl-5-[3-({[(...)
Affinity DataIC50:  27nMpH: 5.5Assay Description:Inhibition of argifin and other peptide derivatives against AfchiB1 and hCHT.More data for this Ligand-Target Pair
TargetChitotriosidase-1(Human)
University of Dundee

LigandPNGBDBM10853((2R,5S,8S,11S,15S)-8-benzyl-2,7-dimethyl-5-[3-({[(...)
Affinity DataIC50:  4.50E+3nMpH: 5.5Assay Description:Inhibition of argifin and other peptide derivatives against AfchiB1 and hCHT.More data for this Ligand-Target Pair
TargetEndochitinase B1(Neosartorya fumigata)
University of Dundee

LigandPNGBDBM10853((2R,5S,8S,11S,15S)-8-benzyl-2,7-dimethyl-5-[3-({[(...)
Affinity DataIC50:  1.10E+3nMpH: 5.5 T: 37°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 [A217G](Aspergillus fumigatus)
University of Dundee

LigandPNGBDBM10853((2R,5S,8S,11S,15S)-8-benzyl-2,7-dimethyl-5-[3-({[(...)
Affinity DataKd:  4.24E+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