BDBM50580211 CHEMBL5081045

SMILES CC(=O)O[C@H]1[C@H](OC(C)=O)[C@H](OCCOCCn2cc(COCC(COCc3cn(CCOCCO[C@@H]4O[C@@H](C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]4OC(C)=O)nn3)N3C=C(CN(Cc4cn(C(COCc5cn(CCOCCO[C@@H]6O[C@@H](C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]6OC(C)=O)nn5)COCc5cn(CCOCCO[C@@H]6O[C@@H](C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]6OC(C)=O)nn5)nn4)C(=O)c4ccc(-c5cn(CCCCCCCCCCN=[N+]=[N-])nn5)cc4)NN3)nn2)O[C@@H](C)[C@H]1OC(C)=O

InChI Key InChIKey=PVQXLYUJJUGELE-UHFFFAOYSA-N

Data  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50580211   

TargetFucose-binding lectin PA-IIL(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
University of Namur (Unamur)

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50580211BDBM50580211(CHEMBL5081045)
Affinity DataKd:  150nMAssay Description:Binding affinity to recombinant Pseudomonas aeruginosa lecB expressed in Escherichia coli assessed as dissociation constant by isothermal titration c...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/4/2023
Entry Details Article
PubMed