BDBM41720 1-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-(3-ethanoylphenoxy)ethanone::2-(3-acetylphenoxy)-1-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)ethanone::2-(3-acetylphenoxy)-1-(1-benzyl-2,5-dimethylpyrrol-3-yl)ethanone::2-(3-acetylphenoxy)-1-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]ethanone::SR-01000759119-1::cid_8172457

SMILES Cc1cc(N2CCOC[C@@H]2C(F)(F)F)cc(F)c1C(=O)N[C@@H](Cc1ccc(-c2cc3cnccc3n(C)c2=O)c2ncccc12)C(=O)O

InChI Key InChIKey=JBSGMCJWQZJIGW-UHFFFAOYSA-N

Data  2 EC50

  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 = 41720   

TargetIntegrin alpha-4/beta-7(Human)
Gilead Sciences

US Patent
LigandChemical structure of BindingDB Monomer ID 41720BDBM41720(US11116760, Example 469)
Affinity DataEC50:  0.103nMAssay 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