BDBM556542 US11352330, Example A15

SMILES CC(C)(C)c1cc(ccc1OCC2=NNC(=O)N2C)S(=O)(=O)C

InChI Key InChIKey=YASZJGHZNLBJQQ-UHFFFAOYSA-N

Data  1 IC50

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 = 556542   

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandChemical structure of BindingDB Monomer ID 556542BDBM556542(US11352330, Example A15)
Affinity DataIC50: 230nMAssay Description: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-100, pH 8.0;...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/10/2022
Entry Details
US Patent
PDB3D3D Structure (crystal)