BDBM50166886 CHEMBL195368::methyl alpha-D-mannoside
SMILES: CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
InChI Key: InChIKey=HOVAGTYPODGVJG-VEIUFWFVSA-N
Data: 5 IC50
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 |
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Concanavalin-A (Canavalia ensiformis) | BDBM50166886 (CHEMBL195368 | methyl alpha-D-mannoside) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Southern University Curated by ChEMBL | Assay Description Inhibition of Canavalia ensiformis concanavalin A binding to yeast mannan by ELLA | Bioorg Med Chem Lett 18: 6573-5 (2008) Article DOI: 10.1016/j.bmcl.2008.09.095 BindingDB Entry DOI: 10.7270/Q2ZW1KRJ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Adhesin protein fimH (Escherichia coli (strain K12)) | BDBM50166886 (CHEMBL195368 | methyl alpha-D-mannoside) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Basel Curated by ChEMBL | Assay Description Antagonist activity at Escherichia coli recombinant C-terminal 6His-tagged FimH-CRD with a C-terminal thrombin cleavage site expressed in Escherichia... | Bioorg Med Chem 19: 6454-73 (2011) Article DOI: 10.1016/j.bmc.2011.08.057 BindingDB Entry DOI: 10.7270/Q2416XGX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
LecB (Pseudomonas aeruginosa) | BDBM50166886 (CHEMBL195368 | methyl alpha-D-mannoside) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.57E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS-Universit£ de Picardie Jules Verne Curated by ChEMBL | Assay Description Inhibition of Pseudomonas aeruginosa LecB by fluorescence polarization assay | J Med Chem 62: 7722-7738 (2019) Article DOI: 10.1021/acs.jmedchem.9b00481 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
LecB (Pseudomonas aeruginosa) | BDBM50166886 (CHEMBL195368 | methyl alpha-D-mannoside) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) Curated by ChEMBL | Assay Description Competitive inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)-thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB after 8 t... | J Med Chem 62: 9201-9216 (2019) Article DOI: 10.1021/acs.jmedchem.9b01120 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
LecB (Pseudomonas aeruginosa) | BDBM50166886 (CHEMBL195368 | methyl alpha-D-mannoside) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.57E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) Curated by ChEMBL | Assay Description Inhibition of Pseudomonas aeruginosa PAO1 LecB after 6 hrs by fluorescence polarization assay | J Med Chem 62: 9201-9216 (2019) Article DOI: 10.1021/acs.jmedchem.9b01120 | |||||||||||
More data for this Ligand-Target Pair |