BDBM50206598 CHEMBL225653::methyl (1R,2S/1S,2R)-(4-nitrophenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]cyclopropanecarboxylate

SMILES COC(=O)C1(CC1CN1CCN(CC1)c1ncccn1)c1ccc(cc1)[N+]([O-])=O

InChI Key InChIKey=CSVAQHRLHGGGMI-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 = 50206598   

TargetSigma non-opioid intracellular receptor 1(Guinea pig)
University of Catania

Curated by ChEMBL
LigandPNGBDBM50206598(methyl (1R,2S/1S,2R)-(4-nitrophenyl)-2-[(4-pyrimid...)
Affinity DataKi:  619nMAssay Description:Displacement of [3H](+)-pentazocine from guinea pig brain sigma 1 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed