BDBM41659 2-(N-(3,5-dimethylisoxazol-4-yl)sulfonyl-3,5-dimethyl-anilino)-N-m-anisyl-acetamide::2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-(3,5-dimethylphenyl)amino]-N-[(3-methoxyphenyl)methyl]ethanamide::2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]-N-[(3-methoxyphenyl)methyl]acetamide::2-[N-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-3,5-dimethylanilino]-N-[(3-methoxyphenyl)methyl]acetamide::MLS000117417::SMR000094367::cid_5308908

SMILES CCn1c(=O)n(-c2ccc(C[C@H](NC(=O)c3c(C)cc(N4CCOC[C@@H]4C(F)(F)F)cc3F)C(=O)O)c3cccnc23)c(=O)c2ccncc21

InChI Key InChIKey=AWZYKXWLZVIQJJ-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 = 41659   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 41659BDBM41659(US11116760, Example 417)
Affinity DataEC50:  0.117nMAssay Description:The CHO cell line was cultured in T-175 flasks at 37 degrees C and 95% relative humidity (RH). The growth media consisted of Dulbecco's Modified ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2026
Entry Details
US Patent