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BDBM50346475 CHEMBL1782986::rel-(1RS,2RS,6SR)-7-benzyl-9-(4-methoxybenzyl)-2-(pyrrolidin-1-yl)-7,9-diazabicyclo-[4.2.2]decane::rel-(1RS,2SR,6SR)-7-benzyl-9-(4-methoxybenzyl)-2-(pyrrolidin-1-yl)-7,9-diazabicyclo-[4.2.2]decane

SMILES: COc1ccc(CN2CC3CCCC(C2CN3Cc2ccccc2)N2CCCC2)cc1

InChI Key: InChIKey=QGHZKNVBZNJZGF-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 = 50346475   
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))
BDBM50346475
PNG
(CHEMBL1782986 | rel-(1RS,2RS,6SR)-7-benzyl-9-(4-me...)
Show SMILES COc1ccc(CN2CC3CCCC(C2CN3Cc2ccccc2)N2CCCC2)cc1 |TLB:24:13:7.8:16.15,THB:17:16:7.8:13.12.11.10|
Show InChI InChI=1S/C27H37N3O/c1-31-25-14-12-23(13-15-25)19-30-20-24-10-7-11-26(28-16-5-6-17-28)27(30)21-29(24)18-22-8-3-2-4-9-22/h2-4,8-9,12-15,24,26-27H,5-7,10-11,16-21H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
238n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


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


Eur J Med Chem 46: 1972-82 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.064
BindingDB Entry DOI: 10.7270/Q2PV6KQ5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50346475
PNG
(CHEMBL1782986 | rel-(1RS,2RS,6SR)-7-benzyl-9-(4-me...)
Show SMILES COc1ccc(CN2CC3CCCC(C2CN3Cc2ccccc2)N2CCCC2)cc1 |TLB:24:13:7.8:16.15,THB:17:16:7.8:13.12.11.10|
Show InChI InChI=1S/C27H37N3O/c1-31-25-14-12-23(13-15-25)19-30-20-24-10-7-11-26(28-16-5-6-17-28)27(30)21-29(24)18-22-8-3-2-4-9-22/h2-4,8-9,12-15,24,26-27H,5-7,10-11,16-21H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
531n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


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


Eur J Med Chem 46: 1972-82 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.064
BindingDB Entry DOI: 10.7270/Q2PV6KQ5
More data for this
Ligand-Target Pair