BDBM457103 CHEM-US-00020::US10738053, Example 1.06

SMILES C[C@@]12CN(C[C@H]1CN(C2)C(=O)OCc3ccc(cc3)OC(F)(F)F)C(=O)c4ccc(cc4)S(=O)(=O)N

InChI Key InChIKey=BGHGKELMYMNCFY-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 457103   

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandChemical structure of BindingDB Monomer ID 457103BDBM457103(US10738053, Example 1.06)
Affinity DataIC50: 6nMAssay Description:Human ATX: Assay working solutions were made as follows: Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/4/2021
Entry Details
US Patent
PDB3D3D Structure (crystal)