BDBM31359 MLS000334870::N-(3-chloranyl-4-methyl-phenyl)-2-(4-nitrophenyl)propanamide::N-(3-chloro-4-methyl-phenyl)-2-(4-nitrophenyl)propionamide::N-(3-chloro-4-methylphenyl)-2-(4-nitrophenyl)propanamide::SMR000249628::cid_5038554

SMILES O=C(N[C@@H](Cc1ccc(-c2nccc(OC3CC3)c2C(F)(F)F)c2ncccc12)C(=O)O)c1c(F)cc(N2CCOC[C@@H]2C(F)(F)F)cc1F

InChI Key InChIKey=IMILVVLIKUEUCM-UHFFFAOYSA-N

Data  2 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 = 31359   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 31359BDBM31359(US11116760, Example 233)
Affinity DataEC50:  2.20nMAssay Description:HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2026
Entry Details
US Patent