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BDBM50225867 (+)-(1R,2R,5S)-6-benzyl-2-methoxy-8-(4-methoxybenzyl)-6,8-diazabicyclo[3.2.2]nonane::(1R,2R,5S)-6-benzyl-2-methoxy-8-(4-methoxybenzyl)-6,8-diazabicyclo[3.2.2]nonane::CHEMBL393735

SMILES: CO[C@@H]1CC[C@H]2CN(Cc3ccc(OC)cc3)[C@@H]1CN2Cc1ccccc1

InChI Key: InChIKey=POPWLHRAAOBVED-MDNUFGMLSA-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 = 50225867   
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 non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50225867
PNG
((+)-(1R,2R,5S)-6-benzyl-2-methoxy-8-(4-methoxybenz...)
Show SMILES CO[C@@H]1CC[C@H]2CN(Cc3ccc(OC)cc3)[C@@H]1CN2Cc1ccccc1 |r,TLB:8:7:19.18:4.3.2,1:2:19.18:6.7,20:19:6.7:4.3.2|
Show InChI InChI=1S/C23H30N2O2/c1-26-21-11-8-19(9-12-21)15-25-16-20-10-13-23(27-2)22(25)17-24(20)14-18-6-4-3-5-7-18/h3-9,11-12,20,22-23H,10,13-17H2,1-2H3/t20-,22+,23+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
26n/an/an/an/an/an/an/an/a



University M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane


J Med Chem 50: 6144-53 (2007)


Article DOI: 10.1021/jm070620b
BindingDB Entry DOI: 10.7270/Q28K79XF
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50225867
PNG
((+)-(1R,2R,5S)-6-benzyl-2-methoxy-8-(4-methoxybenz...)
Show SMILES CO[C@@H]1CC[C@H]2CN(Cc3ccc(OC)cc3)[C@@H]1CN2Cc1ccccc1 |r,TLB:8:7:19.18:4.3.2,1:2:19.18:6.7,20:19:6.7:4.3.2|
Show InChI InChI=1S/C23H30N2O2/c1-26-21-11-8-19(9-12-21)15-25-16-20-10-13-23(27-2)22(25)17-24(20)14-18-6-4-3-5-7-18/h3-9,11-12,20,22-23H,10,13-17H2,1-2H3/t20-,22+,23+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
26n/an/an/an/an/an/an/an/a



Institut für Pharmazeutische und Medizinische Chemie der Westfälischen Wilhelms-Universität Münster

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from opioid sigma1 receptor in guinea pig brain homogenate


Bioorg Med Chem 17: 777-93 (2009)


Article DOI: 10.1016/j.bmc.2008.11.043
BindingDB Entry DOI: 10.7270/Q2CF9PX9
More data for this
Ligand-Target Pair