BDBM50034082 CHEMBL3358626
SMILES: C[C@H]1O[C@@H](OCCOCCOCCn2cc(COc3c4Cc5cc(cc(Cc6cc(cc(Cc7cc(cc(Cc3cc(c4)C(C)(C)C)c7OCc3cn(CCOCCOCCO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)nn3)C(C)(C)C)c6OCc3cn(CCOCCOCCO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)nn3)C(C)(C)C)c5OCc3cn(CCOCCOCCO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)nn3)C(C)(C)C)nn2)[C@H](O)[C@@H](O)[C@H]1O
InChI Key: InChIKey=PEVDJWDAUWHEOB-NXCYFIDMSA-N
Data: 1 Kd
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
PA-I galactophilic lectin (Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...) | BDBM50034082 (CHEMBL3358626) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 176 | n/a | n/a | n/a | n/a | n/a |
Universit£ Lyon 1& VetAgro Sup Curated by ChEMBL | Assay Description Binding affinity to Pseudomonas aeruginosa LecA by ITC method | J Med Chem 57: 10275-89 (2014) Article DOI: 10.1021/jm500038p BindingDB Entry DOI: 10.7270/Q2251KSP | |||||||||||
More data for this Ligand-Target Pair |