BDBM50549956 CHEMBL4759243::US12269819, Example 42

SMILES CO[C@H]1[C@@H](O[C@H](CO)[C@H](O)[C@@H]1n1cc(nn1)-c1ccc(Br)c(F)c1F)C(=O)N(C)c1ccc2ncsc2c1

InChI Key InChIKey=VAHFPFWYMCULAM-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 50549956   

TargetGalectin-3(Human)
Smith, Gambrell & Russell

Curated by ChEMBL
LigandPNGBDBM50549956(CHEMBL4759243 | US12269819, Example 42)
Affinity DataIC50: 15nMAssay Description:Inhibition of recombinant human His6-tagged Galectin-3 preincubated for 30 mins followed by B-ASF addition measured after 1 hr by HTRF assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed
TargetGalectin-3(Human)
Smith, Gambrell & Russell

Curated by ChEMBL
LigandPNGBDBM50549956(CHEMBL4759243 | US12269819, Example 42)
Affinity DataIC50: 14nMAssay Description:Inhibition of human Galectin-3More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetGalectin-3(Mouse)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50549956(CHEMBL4759243 | US12269819, Example 42)
Affinity DataIC50: 95nMAssay Description:Inhibition of mouse Galectin-3More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetLysine-specific demethylase 5A(Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM50549956(CHEMBL4759243 | US12269819, Example 42)
Affinity DataIC50: 15nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2025
Entry Details
Go to US Patent