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BDBM50456614 CHEMBL4208912

SMILES: OC1CN(CCc2ccccc12)C1CCN(Cc2ccccc2)CC1

InChI Key: InChIKey=JJQHQYUSNRGYRJ-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50456614   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM50456614
PNG
(CHEMBL4208912)
Show SMILES OC1CN(CCc2ccccc12)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H28N2O/c25-22-17-24(15-10-19-8-4-5-9-21(19)22)20-11-13-23(14-12-20)16-18-6-2-1-3-7-18/h1-9,20,22,25H,10-17H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.5n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain cortex membranes after 120 mins by microbeta scintillation counting met...


Eur J Med Chem 138: 552-564 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.068
BindingDB Entry DOI: 10.7270/Q2DV1NGG
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50456614
PNG
(CHEMBL4208912)
Show SMILES OC1CN(CCc2ccccc12)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H28N2O/c25-22-17-24(15-10-19-8-4-5-9-21(19)22)20-11-13-23(14-12-20)16-18-6-2-1-3-7-18/h1-9,20,22,25H,10-17H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
34n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]DTG from sigma2 receptor in rat liver membranes after 120 mins by microbeta scintillation counting method


Eur J Med Chem 138: 552-564 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.068
BindingDB Entry DOI: 10.7270/Q2DV1NGG
More data for this
Ligand-Target Pair