Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Chitinase B (Serratia marcescens) | BDBM10854 (4-[(1S,4R,10S,13S,16S,18R)-10-{3-[(acetamidomethan...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MCE MMDB PC cid PC sid PDB UniChem | Article PubMed | 20 | -45.7 | n/a | n/a | n/a | n/a | n/a | 5.5 | 37 |
University of Dundee | Assay Description The IC50s of inhibitor against the human chitinase were determined using the fluorogenic substrate 4MU-NAG3. The fluorescence of the liberated 4MU wa... | Chem Biol 12: 65-76 (2005) Article DOI: 10.1016/j.chembiol.2004.10.013 BindingDB Entry DOI: 10.7270/Q23F4MV6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Chitinase B (Serratia marcescens) | BDBM10853 ((2R,5S,8S,11S,15S)-8-benzyl-2,7-dimethyl-5-[3-({[(...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase MCE MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 3.30E+4 | -26.6 | n/a | n/a | n/a | n/a | n/a | 5.5 | 37 |
University of Dundee | Assay Description The IC50s of inhibitor against the human chitinase were determined using the fluorogenic substrate 4MU-NAG3. The fluorescence of the liberated 4MU wa... | Chem Biol 12: 65-76 (2005) Article DOI: 10.1016/j.chembiol.2004.10.013 BindingDB Entry DOI: 10.7270/Q23F4MV6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Chitotriosidase-1 (Homo sapiens (Human)) | BDBM10854 (4-[(1S,4R,10S,13S,16S,18R)-10-{3-[(acetamidomethan...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MCE MMDB PC cid PC sid PDB UniChem | MMDB PDB Article PubMed | n/a | n/a | 13 | n/a | n/a | n/a | n/a | 5.2 | 37 |
University of Dundee | Assay Description The IC50s of inhibitor against the human chitinase were determined using the fluorogenic substrate 4MU-NAG3. The fluorescence of the liberated 4MU wa... | Chem Biol 12: 65-76 (2005) Article DOI: 10.1016/j.chembiol.2004.10.013 BindingDB Entry DOI: 10.7270/Q23F4MV6 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Endochitinase B1 (Aspergillus fumigatus) | BDBM10854 (4-[(1S,4R,10S,13S,16S,18R)-10-{3-[(acetamidomethan...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MCE MMDB PC cid PC sid PDB UniChem | MMDB PDB Article PubMed | n/a | n/a | 500 | n/a | n/a | n/a | n/a | 5.5 | 37 |
University of Dundee | Assay Description The IC50s of inhibitor against the human chitinase were determined using the fluorogenic substrate 4MU-NAG3. The fluorescence of the liberated 4MU wa... | Chem Biol 12: 65-76 (2005) Article DOI: 10.1016/j.chembiol.2004.10.013 BindingDB Entry DOI: 10.7270/Q23F4MV6 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Endochitinase B1 (Aspergillus fumigatus) | BDBM10853 ((2R,5S,8S,11S,15S)-8-benzyl-2,7-dimethyl-5-[3-({[(...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase MCE MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | 5.5 | 37 |
University of Dundee | Assay Description The IC50s of inhibitor against the human chitinase were determined using the fluorogenic substrate 4MU-NAG3. The fluorescence of the liberated 4MU wa... | Chem Biol 12: 65-76 (2005) Article DOI: 10.1016/j.chembiol.2004.10.013 BindingDB Entry DOI: 10.7270/Q23F4MV6 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Chitotriosidase-1 (Homo sapiens (Human)) | BDBM10853 ((2R,5S,8S,11S,15S)-8-benzyl-2,7-dimethyl-5-[3-({[(...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | 5.2 | 37 |
University of Dundee | Assay Description The IC50s of inhibitor against the human chitinase were determined using the fluorogenic substrate 4MU-NAG3. The fluorescence of the liberated 4MU wa... | Chem Biol 12: 65-76 (2005) Article DOI: 10.1016/j.chembiol.2004.10.013 BindingDB Entry DOI: 10.7270/Q23F4MV6 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Endochitinase B1 [R301K] (Aspergillus fumigatus) | BDBM10854 (4-[(1S,4R,10S,13S,16S,18R)-10-{3-[(acetamidomethan...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL MCE MMDB PC cid PC sid PDB UniChem | MMDB PDB Article PubMed | n/a | n/a | n/a | 1.02E+3 | n/a | n/a | n/a | n/a | n/a |
University of Dundee | Assay Description Fluorescence measurements were carried out with a Varian Cary Eclipse fluorescence spectrophotometer. Emission spectra were recorded from 330-360 nm ... | Chem Biol 12: 65-76 (2005) Article DOI: 10.1016/j.chembiol.2004.10.013 BindingDB Entry DOI: 10.7270/Q23F4MV6 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Endochitinase B1 [A217G] (Aspergillus fumigatus) | BDBM10853 ((2R,5S,8S,11S,15S)-8-benzyl-2,7-dimethyl-5-[3-({[(...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase MCE MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | n/a | 4.24E+3 | n/a | n/a | n/a | n/a | n/a |
University of Dundee | Assay Description Fluorescence measurements were carried out with a Varian Cary Eclipse fluorescence spectrophotometer. Emission spectra were recorded from 330-360 nm ... | Chem Biol 12: 65-76 (2005) Article DOI: 10.1016/j.chembiol.2004.10.013 BindingDB Entry DOI: 10.7270/Q23F4MV6 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Endochitinase B1 [A217G] (Aspergillus fumigatus) | BDBM10854 (4-[(1S,4R,10S,13S,16S,18R)-10-{3-[(acetamidomethan...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL MCE MMDB PC cid PC sid PDB UniChem | MMDB PDB Article PubMed | n/a | n/a | n/a | 2.84E+3 | n/a | n/a | n/a | n/a | n/a |
University of Dundee | Assay Description Fluorescence measurements were carried out with a Varian Cary Eclipse fluorescence spectrophotometer. Emission spectra were recorded from 330-360 nm ... | Chem Biol 12: 65-76 (2005) Article DOI: 10.1016/j.chembiol.2004.10.013 BindingDB Entry DOI: 10.7270/Q23F4MV6 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Endochitinase B1 [M243A] (Aspergillus fumigatus) | BDBM10853 ((2R,5S,8S,11S,15S)-8-benzyl-2,7-dimethyl-5-[3-({[(...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase MCE MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | n/a | 1.73E+3 | n/a | n/a | n/a | n/a | n/a |
University of Dundee | Assay Description Fluorescence measurements were carried out with a Varian Cary Eclipse fluorescence spectrophotometer. Emission spectra were recorded from 330-360 nm ... | Chem Biol 12: 65-76 (2005) Article DOI: 10.1016/j.chembiol.2004.10.013 BindingDB Entry DOI: 10.7270/Q23F4MV6 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Endochitinase B1 [M243A] (Aspergillus fumigatus) | BDBM10854 (4-[(1S,4R,10S,13S,16S,18R)-10-{3-[(acetamidomethan...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL MCE MMDB PC cid PC sid PDB UniChem | MMDB PDB Article PubMed | n/a | n/a | n/a | 9.39E+3 | n/a | n/a | n/a | n/a | n/a |
University of Dundee | Assay Description Fluorescence measurements were carried out with a Varian Cary Eclipse fluorescence spectrophotometer. Emission spectra were recorded from 330-360 nm ... | Chem Biol 12: 65-76 (2005) Article DOI: 10.1016/j.chembiol.2004.10.013 BindingDB Entry DOI: 10.7270/Q23F4MV6 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Endochitinase B1 [T138A] (Aspergillus fumigatus) | BDBM10853 ((2R,5S,8S,11S,15S)-8-benzyl-2,7-dimethyl-5-[3-({[(...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase MCE MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | n/a | 1.21E+3 | n/a | n/a | n/a | n/a | n/a |
University of Dundee | Assay Description Fluorescence measurements were carried out with a Varian Cary Eclipse fluorescence spectrophotometer. Emission spectra were recorded from 330-360 nm ... | Chem Biol 12: 65-76 (2005) Article DOI: 10.1016/j.chembiol.2004.10.013 BindingDB Entry DOI: 10.7270/Q23F4MV6 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Endochitinase B1 [T138A] (Aspergillus fumigatus) | BDBM10854 (4-[(1S,4R,10S,13S,16S,18R)-10-{3-[(acetamidomethan...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL MCE MMDB PC cid PC sid PDB UniChem | MMDB PDB Article PubMed | n/a | n/a | n/a | 3.04E+3 | n/a | n/a | n/a | n/a | n/a |
University of Dundee | Assay Description Fluorescence measurements were carried out with a Varian Cary Eclipse fluorescence spectrophotometer. Emission spectra were recorded from 330-360 nm ... | Chem Biol 12: 65-76 (2005) Article DOI: 10.1016/j.chembiol.2004.10.013 BindingDB Entry DOI: 10.7270/Q23F4MV6 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Endochitinase B1 [E322A] (Aspergillus fumigatus) | BDBM10853 ((2R,5S,8S,11S,15S)-8-benzyl-2,7-dimethyl-5-[3-({[(...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase MCE MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | n/a | 1.37E+3 | n/a | n/a | n/a | n/a | n/a |
University of Dundee | Assay Description Fluorescence measurements were carried out with a Varian Cary Eclipse fluorescence spectrophotometer. Emission spectra were recorded from 330-360 nm ... | Chem Biol 12: 65-76 (2005) Article DOI: 10.1016/j.chembiol.2004.10.013 BindingDB Entry DOI: 10.7270/Q23F4MV6 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Endochitinase B1 [R301K] (Aspergillus fumigatus) | BDBM10853 ((2R,5S,8S,11S,15S)-8-benzyl-2,7-dimethyl-5-[3-({[(...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase MCE MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | n/a | 2.16E+3 | n/a | n/a | n/a | n/a | n/a |
University of Dundee | Assay Description Fluorescence measurements were carried out with a Varian Cary Eclipse fluorescence spectrophotometer. Emission spectra were recorded from 330-360 nm ... | Chem Biol 12: 65-76 (2005) Article DOI: 10.1016/j.chembiol.2004.10.013 BindingDB Entry DOI: 10.7270/Q23F4MV6 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Endochitinase B1 [E322A] (Aspergillus fumigatus) | BDBM10854 (4-[(1S,4R,10S,13S,16S,18R)-10-{3-[(acetamidomethan...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL MCE MMDB PC cid PC sid PDB UniChem | MMDB PDB Article PubMed | n/a | n/a | n/a | 2.93E+3 | n/a | n/a | n/a | n/a | n/a |
University of Dundee | Assay Description Fluorescence measurements were carried out with a Varian Cary Eclipse fluorescence spectrophotometer. Emission spectra were recorded from 330-360 nm ... | Chem Biol 12: 65-76 (2005) Article DOI: 10.1016/j.chembiol.2004.10.013 BindingDB Entry DOI: 10.7270/Q23F4MV6 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Endochitinase B1 [D175A] (Aspergillus fumigatus) | BDBM10854 (4-[(1S,4R,10S,13S,16S,18R)-10-{3-[(acetamidomethan...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL MCE MMDB PC cid PC sid PDB UniChem | MMDB PDB Article PubMed | n/a | n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a |
University of Dundee | Assay Description Fluorescence measurements were carried out with a Varian Cary Eclipse fluorescence spectrophotometer. Emission spectra were recorded from 330-360 nm ... | Chem Biol 12: 65-76 (2005) Article DOI: 10.1016/j.chembiol.2004.10.013 BindingDB Entry DOI: 10.7270/Q23F4MV6 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Endochitinase B1 [D175A] (Aspergillus fumigatus) | BDBM10853 ((2R,5S,8S,11S,15S)-8-benzyl-2,7-dimethyl-5-[3-({[(...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase MCE MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | n/a | 3.81E+3 | n/a | n/a | n/a | n/a | n/a |
University of Dundee | Assay Description Fluorescence measurements were carried out with a Varian Cary Eclipse fluorescence spectrophotometer. Emission spectra were recorded from 330-360 nm ... | Chem Biol 12: 65-76 (2005) Article DOI: 10.1016/j.chembiol.2004.10.013 BindingDB Entry DOI: 10.7270/Q23F4MV6 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Endochitinase B1 (Aspergillus fumigatus) | BDBM10854 (4-[(1S,4R,10S,13S,16S,18R)-10-{3-[(acetamidomethan...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MCE MMDB PC cid PC sid PDB UniChem | MMDB PDB Article PubMed | n/a | n/a | n/a | 810 | n/a | n/a | n/a | n/a | n/a |
University of Dundee | Assay Description Fluorescence measurements were carried out with a Varian Cary Eclipse fluorescence spectrophotometer. Emission spectra were recorded from 330-360 nm ... | Chem Biol 12: 65-76 (2005) Article DOI: 10.1016/j.chembiol.2004.10.013 BindingDB Entry DOI: 10.7270/Q23F4MV6 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Endochitinase B1 (Aspergillus fumigatus) | BDBM10853 ((2R,5S,8S,11S,15S)-8-benzyl-2,7-dimethyl-5-[3-({[(...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase MCE MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a |
University of Dundee | Assay Description Fluorescence measurements were carried out with a Varian Cary Eclipse fluorescence spectrophotometer. Emission spectra were recorded from 330-360 nm ... | Chem Biol 12: 65-76 (2005) Article DOI: 10.1016/j.chembiol.2004.10.013 BindingDB Entry DOI: 10.7270/Q23F4MV6 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Endochitinase B1 [Y245F] (Aspergillus fumigatus) | BDBM10854 (4-[(1S,4R,10S,13S,16S,18R)-10-{3-[(acetamidomethan...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL MCE MMDB PC cid PC sid PDB UniChem | MMDB PDB Article PubMed | n/a | n/a | n/a | 5.57E+3 | n/a | n/a | n/a | n/a | n/a |
University of Dundee | Assay Description Fluorescence measurements were carried out with a Varian Cary Eclipse fluorescence spectrophotometer. Emission spectra were recorded from 330-360 nm ... | Chem Biol 12: 65-76 (2005) Article DOI: 10.1016/j.chembiol.2004.10.013 BindingDB Entry DOI: 10.7270/Q23F4MV6 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |