BDBM41719 1-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-(4-ethanoylphenoxy)ethanone::2-(4-acetylphenoxy)-1-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)ethanone::2-(4-acetylphenoxy)-1-(1-benzyl-2,5-dimethylpyrrol-3-yl)ethanone::2-(4-acetylphenoxy)-1-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]ethanone::SR-01000759118-1::cid_7763884

SMILES Cc1cc(C(F)(F)F)c(-c2ccc(C[C@H](NC(=O)c3c(F)cc(N4CCO[C@@H](C)[C@@H]4C(F)(F)F)cc3F)C(=O)O)c3cccnc23)c(=O)n1C

InChI Key InChIKey=POFHTSZDJDUXFN-UHFFFAOYSA-N

Data  2 EC50

  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 1 hit for monomerid = 41719   

TargetIntegrin alpha-4/beta-7(Human)
GILEAD SCIENCES, INC.

US Patent
LigandChemical structure of BindingDB Monomer ID 41719BDBM41719(US11116760, Example 468)
Affinity DataEC50:  0.189nMAssay Description:cell-based assay using human non-small-cell lung cancer cell line, Calu-1More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2026
Entry Details US Patent