BDBM41637 MLS000068028::N-Cyclohexyl-2-[4-(4-fluoro-phenyl)-5-(methanesulfonylamino-methyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetamide::N-cyclohexyl-2-[[4-(4-fluorophenyl)-5-(methanesulfonamidomethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide::N-cyclohexyl-2-[[4-(4-fluorophenyl)-5-(methanesulfonamidomethyl)-1,2,4-triazol-3-yl]thio]acetamide::N-cyclohexyl-2-[[4-(4-fluorophenyl)-5-(methylsulfonylaminomethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide::SMR000004719::cid_645531

SMILES Cc1cc(N2CCOC[C@@H]2C(F)(F)F)cc(F)c1C(=O)N[C@@H](Cc1ccc(-n2c(=O)c3ncccc3n(C)c2=O)c2ncccc12)C(=O)O

InChI Key InChIKey=KTQGZSIDJPLJSL-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 = 41637   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 41637BDBM41637(US11116760, Example 399)
Affinity DataEC50:  0.100nMAssay Description:To measure 5-HT1E activity, a Chinese Hamster Ovary (CHO) cell line was developed at the Scripps Molecular Research Institute Screening center. This ...More data for this Ligand-Target Pair
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Date in BDB:
3/23/2026
Entry Details
US Patent