BDBM41688 1-[4-(diethylamino)phenyl]-3-[2-(trifluoromethyl)phenyl]urea::MLS000581189::N-[4-(diethylamino)phenyl]-N'-[2-(trifluoromethyl)phenyl]urea::SMR000199802::cid_2206190

SMILES CN1CCc2c(cc(-c3ccc(C[C@H](NC(=O)c4c(F)cc(N5CCOC[C@@H]5C(F)(F)F)cc4F)C(=O)O)c4cccnc34)c(=O)n2C)C1

InChI Key InChIKey=YQTIQQVVQNOCPZ-UHFFFAOYSA-N

Data  1 IC50  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 = 41688   

TargetIntegrin alpha-4/beta-7(Human)
GILEAD SCIENCES, INC.

US Patent
LigandChemical structure of BindingDB Monomer ID 41688BDBM41688(US11116760, Example 437)
Affinity DataEC50:  0.261nMAssay 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