BDBM732270 Preparation of hexyl ((S)-6-(bis((2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl) amino)-1-((3-(4'-(4-(3-(3,5-diamino-6-chloropyrazine-2-carbonyl)guanidino)butyl)-[1,1'-biphenyl]-4-yl)propyl)amino)-1-oxohexan-2-yl)carbamate (Exp-76)::US20250115561, Example 76

SMILES CCCCCCOC(=O)N[C@@H](CCCCN(C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)NCCCc1ccc(-c2ccc(CCCCNC(=N)NC(=O)c3nc(Cl)c(N)nc3N)cc2)cc1

InChI Key InChIKey=BKNXJQNSIOAPRE-UHFFFAOYSA-N

Data  1 IC50

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

Found 1 hit for monomerid = 732270   

TargetMucin-5B(Human)
Parion Sciences

US Patent
LigandPNGBDBM732270(Preparation of hexyl ((S)-6-(bis((2S,3R,4R,5R)-2,3...)
Affinity DataIC50: 0.499nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
8/22/2025
Entry Details
Go to US Patent