Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Endochitinase B1 (Aspergillus fumigatus) | BDBM50173286 (5-[3-[amino-(methylcarbamoylamino)methylidene]amin...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid UniChem Similars | MMDB Article PubMed | 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dundee Curated by ChEMBL | Assay Description Inhihitory activity against Chitinase B1 (AfChiB1) using fuorometric assay with 4-methylumbelliferyl-b-D-N,N0-diacetylchitobiose as substrate | Bioorg Med Chem Lett 15: 4717-21 (2005) Article DOI: 10.1016/j.bmcl.2005.07.068 BindingDB Entry DOI: 10.7270/Q2MS3S9T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Endochitinase B1 (Aspergillus fumigatus) | BDBM10850 (1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 3.70E+4 | -6.28 | 1.26E+5 | 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: 973-80 (2005) Article DOI: 10.1016/j.chembiol.2005.07.009 BindingDB Entry DOI: 10.7270/Q2765CJG | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |