BDBM50614326 CHEMBL5288501

SMILES CC(C)(C)c1cc2Cc3cc(cc(Cc4cc(OCc5cn(CCOCCOCCO[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)nn5)cc(Cc5cc(cc(Cc(c1)c2OCc1cn(CCOCCOCCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)nn1)c5OCc1cn(CCOCCOCCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)nn1)C(C)(C)C)c4C(C)(C)C)c3OCc1cn(CCOCCOCCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)nn1)C(C)(C)C

InChI Key InChIKey=VLOVVZHXVACBRZ-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 = 50614326   

TargetPA-I galactophilic lectin(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
Helmholtz Institute For Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL
LigandPNGBDBM50614326(CHEMBL5288501)
Affinity DataKd:  180nMAssay Description:Binding affinity to Pseudomonas aeruginosa PAO1 LecA assessed as dissociation constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed