BDBM50505613 CHEMBL4441817
SMILES: C[C@@H]1O[C@H](CNS(=O)(=O)c2cccs2)[C@@H](O)[C@H](O)[C@@H]1O
InChI Key: InChIKey=WRIRYERYALMTGC-CNYIRLTGSA-N
Data: 4 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
LecB (Pseudomonas aeruginosa) | BDBM50505613 (CHEMBL4441817) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.80E+3 | 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 | |||||||||||||
LecB (Pseudomonas aeruginosa) | BDBM50505613 (CHEMBL4441817) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Palermo Curated by ChEMBL | Assay Description Inhibition of N-(Fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PAO1 LecB after 22 to 24 hrs by ... | 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) | BDBM50505613 (CHEMBL4441817) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Palermo Curated by ChEMBL | Assay Description Inhibition of N-(Fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB after 22 to 24 hrs by ... | 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) | BDBM50505613 (CHEMBL4441817) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 440 | 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 |