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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 = 'BDBM50321776'   
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))
BDBM50321776
PNG
(CHEMBL1172688 | rac-1'-butyl-3-methoxyspiro[isochr...)
Show SMILES CCCCN1CCC[C@@]2(C1)O[C@@H](Cc1ccccc21)OC |r|
Show InChI InChI=1S/C18H27NO2/c1-3-4-11-19-12-7-10-18(14-19)16-9-6-5-8-15(16)13-17(20-2)21-18/h5-6,8-9,17H,3-4,7,10-14H2,1-2H3/t17-,18-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.490n/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))
BDBM50321776
PNG
(CHEMBL1172688 | rac-1'-butyl-3-methoxyspiro[isochr...)
Show SMILES CCCCN1CCC[C@@]2(C1)O[C@@H](Cc1ccccc21)OC |r|
Show InChI InChI=1S/C18H27NO2/c1-3-4-11-19-12-7-10-18(14-19)16-9-6-5-8-15(16)13-17(20-2)21-18/h5-6,8-9,17H,3-4,7,10-14H2,1-2H3/t17-,18-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.490n/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