BDBM41695 1-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone::1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone::1-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-(1H-1,2,4-triazol-5-ylthio)ethanone::1-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone::SR-01000759078-1::cid_4794816

SMILES Cc1cc(N2CCOC[C@@H]2C(F)(F)F)cc(F)c1C(=O)N[C@@H](Cc1ccc(-c2ccc(C)n(C)c2=O)c2ncccc12)C(=O)O

InChI Key InChIKey=KCNGQQDZRQIULR-UHFFFAOYSA-N

Data  2 EC50

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

Found 1 hit for monomerid = 41695   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 41695BDBM41695(US11116760, Example 444)
Affinity DataEC50:  0.161nMAssay 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