BDBM528660 US11197877, Compound 21::US20240165139, Compound 21

SMILES CCC1CC(C[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)C(O[C@@H](CC3CCCCC3)C(=O)N3CCC3)C2NC(C)=O)[C@@H]1O[C@@H]1OC(C)[C@@H](O)[C@H](O)C1O)C(=O)NCCNC(=O)c1cn(CCCO)nn1

InChI Key InChIKey=ZKLXVZIVNCCISY-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 528660   

TargetE-selectin(Human)
Glycomimetics.

US Patent
LigandPNGBDBM528660(US11197877, Compound 21 | US20240165139, Compound ...)
Affinity DataIC50: 520nMAssay 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:
4/24/2022
Entry Details
US Patent

TargetE-selectin(Human)
Glycomimetics.

US Patent
LigandPNGBDBM528660(US11197877, Compound 21 | US20240165139, Compound ...)
Affinity DataIC50: 520nMAssay 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