BDBM620326 (5s,8S)-3-(((2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-methoxy-4-(4- (2,3,4-trifluorophenyl)-1H-1,2,3-triazol-1-yl)tetrahydro-2H-pyran-2-yl)methyl)- 1-oxa-2-azaspiro[4.5]dec-2-ene-8-carbonitrile::US20230295182, Example 1.58

SMILES CO[C@@H]1[C@@H](n2cc(-c3ccc(F)c(F)c3F)nn2)[C@@H](O)[C@@H](CO)O[C@@H]1CC1=NO[C@]2(CC[C@@H](C#N)CC2)C1

InChI Key InChIKey=DKURKEAKPKUBBB-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 = 620326   

TargetGalectin-3(Human)
Idorsia Pharmaceuticals

US Patent
LigandChemical structure of BindingDB Monomer ID 620326BDBM620326(US20230295182, Example 1.58 | (5s,8S)-3-(((2R,3R,4...)
Affinity DataIC50: 110nMAssay Description:Briefly, compounds are serially diluted in DMSO (working dilutions). ASF-coated 384 well plates are supplemented with 22.8 uL/well of biotinylated hG...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/30/2023
Entry Details
US Patent

TargetGalectin-1(Human)
Idorsia Pharmaceuticals

US Patent
LigandChemical structure of BindingDB Monomer ID 620326BDBM620326(US20230295182, Example 1.58 | (5s,8S)-3-(((2R,3R,4...)
Affinity DataIC50: 640nMAssay Description:Briefly, compounds are serially diluted in DMSO (working dilutions). ASF-coated 384 well plates are supplemented with 22.8 uL/well of biotinylated hG...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/30/2023
Entry Details
US Patent