BDBM50565731 CHEMBL4786745

SMILES [H][C@@]1(O[C@H]([C@@H](O)CO)[C@H](O[C@]2([H])O[C@H](COS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H](O[C@]3([H])O[C@@H]([C@@H](O[C@]4([H])O[C@H](COS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H](O[C@]5([H])O[C@@H]([C@@H](O[C@]6([H])O[C@H](COS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H](O[C@]7([H])O[C@@H]([C@@H](O[C@]8([H])O[C@H](COS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H](O[C@]9([H])O[C@@H]([C@@H](O[C@]%10([H])O[C@H](COS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H](O[C@]%11([H])OC(=C[C@H](O[C@]%12([H])O[C@@H](C)[C@@H](OS([O-])(=O)=O)[C@@H](OS(O)(=O)=O)[C@@H]%12O)[C@H]%11O)C([O-])=O)[C@H]%10NC(C)=O)[C@H](O[C@]%10([H])O[C@@H](C)[C@@H](OS([O-])(=O)=O)[C@@H](OS(O)(=O)=O)[C@@H]%10O)[C@H]9O)C([O-])=O)[C@H]8NC(C)=O)[C@H](O[C@]8([H])O[C@@H](C)[C@@H](OS([O-])(=O)=O)[C@@H](OS(O)(=O)=O)[C@@H]8O)[C@H]7O)C([O-])=O)[C@H]6NC(C)=O)[C@H](O[C@]6([H])O[C@@H](C)[C@@H](OS([O-])(=O)=O)[C@@H](OS(O)(=O)=O)[C@@H]6O)[C@H]5O)C([O-])=O)[C@H]4NC(C)=O)[C@H](O[C@]4([H])O[C@@H](C)[C@@H](OS([O-])(=O)=O)[C@@H](OS(O)(=O)=O)[C@@H]4O)[C@H]3O)C([O-])=O)[C@H]2NC(C)=O)[C@H](O)C([O-])=O)O[C@@H](C)[C@@H](OS([O-])(=O)=O)[C@@H](OS(O)(=O)=O)[C@@H]1O

InChI Key InChIKey=PMTYMHRIAGIPQR-UHFFFAOYSA-A

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50565731   

TargetCoagulation factor IX/VIII(Human)
University of Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50565731(CHEMBL4786745)
Affinity DataIC50: 17nMAssay Description:Inhibition of human citrated plasma iXase (factor 8a-factor 9a complex) preincubated for 2 mins followed by factor 10 addition and measured after 1 m...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/30/2022
Entry Details Article
PubMed
TargetCoagulation factor IX(Human)
University of Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50565731(CHEMBL4786745)
Affinity DataIC50: 416nMAssay Description:Inhibition of factor 9a (unknown origin) binding to immobilized biotinylated oHG-11 by biolayer interferometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/30/2022
Entry Details Article
PubMed