BDBM50505627 CHEMBL4450053
SMILES: CO[C@H]1O[C@H](CNC(=O)\C=C\c2ccc(OC)c(OC)c2)[C@@H](O)[C@H](O)[C@@H]1O
InChI Key: InChIKey=MSOXNRHEAAYSSF-UJMIPNDGSA-N
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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LecB (Pseudomonas aeruginosa) | BDBM50505627 (CHEMBL4450053) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | 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) | BDBM50505627 (CHEMBL4450053) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.99E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Palermo Curated by ChEMBL | Assay Description Inhibition of Pseudomonas aeruginosa LecB | Eur J Med Chem 161: 154-178 (2019) Article DOI: 10.1016/j.ejmech.2018.10.036 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
LecB (Pseudomonas aeruginosa) | BDBM50505627 (CHEMBL4450053) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | 7.70E+3 | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Palermo Curated by ChEMBL | Assay Description Binding affinity to Pseudomonas aeruginosa LecB | Eur J Med Chem 161: 154-178 (2019) Article DOI: 10.1016/j.ejmech.2018.10.036 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
LecB (Pseudomonas aeruginosa) | BDBM50505627 (CHEMBL4450053) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2.00E+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 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 |