BDBM413900 4-((4-(7-ethyl-8-oxo-4-oxa-7- azaspiro[2.5]octan-5-yl)piperidin-1- yl)methyl)benzonitrile::US10421750, Example 36

SMILES CCN1CC(OC2(CC2)C1=O)C1CCN(Cc2ccc(cc2)C#N)CC1

InChI Key InChIKey=NSTOCYDGGSNUTK-UHFFFAOYSA-N

Data  1 KI

  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 = 413900   

TargetSigma non-opioid intracellular receptor 1(Homo sapiens (Human))
Esteve Pharmaceuticals

US Patent
LigandPNGBDBM413900(4-((4-(7-ethyl-8-oxo-4-oxa-7- azaspiro[2.5]octan-5...)
Affinity DataKi: >500nMAssay Description:To investigate binding properties of test compounds to human σ1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perkin Elmer, N...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent