BDBM41680 US11116760, Example 430

SMILES Cn1c(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(N4CCOC[C@@H]4C(F)(F)F)cc3F)C(=O)O)c3cc(F)cnc23)c(=O)c2cnccc21

InChI Key InChIKey=SBFNGKKZCLUHAY-UHFFFAOYSA-N

Data  1 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 = 41680   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 41680BDBM41680(US11116760, Example 430)
Affinity DataEC50:  0.469nMAssay 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