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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50321759'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50321759
PNG
((R)-1'-benzyl-3-propyl-3H-spiro[isobenzofuran-1,4'...)
Show SMILES CCC[C@H]1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 |r|
Show InChI InChI=1S/C22H27NO/c1-2-8-21-19-11-6-7-12-20(19)22(24-21)13-15-23(16-14-22)17-18-9-4-3-5-10-18/h3-7,9-12,21H,2,8,13-17H2,1H3/t21-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.70n/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 membrane


Eur J Med Chem 45: 3116-24 (2010)


Article DOI: 10.1016/j.ejmech.2010.03.048
BindingDB Entry DOI: 10.7270/Q2XD11V4
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50321759
PNG
((R)-1'-benzyl-3-propyl-3H-spiro[isobenzofuran-1,4'...)
Show SMILES CCC[C@H]1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 |r|
Show InChI InChI=1S/C22H27NO/c1-2-8-21-19-11-6-7-12-20(19)22(24-21)13-15-23(16-14-22)17-18-9-4-3-5-10-18/h3-7,9-12,21H,2,8,13-17H2,1H3/t21-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.70n/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 membrane


Eur J Med Chem 45: 3116-24 (2010)


Article DOI: 10.1016/j.ejmech.2010.03.048
BindingDB Entry DOI: 10.7270/Q2XD11V4
More data for this
Ligand-Target Pair