BDBM73104 (2S)-2-[[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-[4-[2,6-dimethoxy-4-[40K MW PEG-thiomethyl]phenyl]phenyl]propanoic Acid::US20250381168, Example 8

SMILES COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCSCc1cc(OC)c(-c2ccc(C[C@H](NC(=O)[C@@H]3CCCC3S(=O)(=O)c3cc(Cl)cc(Cl)c3)C(=O)O)cc2)c(OC)c1

InChI Key InChIKey=XVBRZKUJONEXKQ-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 73104   

TargetIntegrin alpha-4/beta-7(Human)
Washington University

US Patent
LigandChemical structure of BindingDB Monomer ID 73104BDBM73104((2S)-2-[[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrol...)
Affinity DataIC50: 4.80nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/29/2026
Entry Details
US Patent