BDBM50260156 CHEMBL4070488

SMILES c1cc(ccc1/C=C/CN2CCC3(CC2)CN(c4c3cc(cc4)F)C(=O)c5ccc(nc5)Br)Cl

InChI Key InChIKey=RDXPBCTWNYFBFI-UHFFFAOYSA-N

Data  3 KI

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 3 hits for monomerid = 50260156   

TargetVesicular acetylcholine transporter(Rat)
Helmholtz-Zentrum Dresden-Rossendorf

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50260156BDBM50260156(CHEMBL4070488)
Affinity DataKi:  39nMAssay Description:Displacement of [3H]vesamicol from rat VAChT expressed in rat PC12 cell membranes incubated for 120 mins by liquid scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSigma intracellular receptor 2(Rat)
Helmholtz-Zentrum Dresden-Rossendorf

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50260156BDBM50260156(CHEMBL4070488)
Affinity DataKi:  60nMAssay Description:Displacement of [3H]pentazocine from sigma2 receptor in Sprague-Dawley rat liver membranes incubated for 120 mins by liquid scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2020
Entry Details Article
PubMed
TargetSigma non-opioid intracellular receptor 1(Rat)
Helmholtz-Zentrum Dresden-Rossendorf

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50260156BDBM50260156(CHEMBL4070488)
Affinity DataKi:  179nMAssay Description:Displacement of [3H]pentazocine from sigma1 receptor in Sprague-Dawley rat cortex membranes incubated for 120 mins by liquid scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2020
Entry Details Article
PubMed