BDBM674298 US20240165139, Compound 17

SMILES CCC1CC(C[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)C(O[C@@H](CC3CCCCC3)C([O-])=O)C2NC(C)=O)[C@@H]1O[C@@H]1OC(C)[C@@H](O)[C@H](O)C1O)C(=O)NCCNC(=O)c1cn(CC(C[O-])(COS([O-])(=O)=O)COS([O-])(=O)=O)nn1

InChI Key InChIKey=IESJGKAJCSHPQO-UHFFFAOYSA-K

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 674298   

TargetE-selectin(Human)
Glycomimetics

US Patent
LigandPNGBDBM674298(US20240165139, Compound 17)
Affinity DataIC50: 150nMAssay Description:The inhibition assay to screen for and characterize glycomimetic antagonists of E-selectin is a competitive binding assay, which allows the determina...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2024
Entry Details
US Patent