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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 = 'BDBM50321794'   
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))
BDBM50321794
PNG
((R)-1-(furan-2-yl)-6'-methoxy-2'-phenyl-6',7'-dihy...)
Show SMILES CO[C@H]1Cc2sc(cc2C2(CCN(Cc3ccco3)CC2)O1)-c1ccccc1 |r|
Show InChI InChI=1S/C23H25NO3S/c1-25-22-15-21-19(14-20(28-21)17-6-3-2-4-7-17)23(27-22)9-11-24(12-10-23)16-18-8-5-13-26-18/h2-8,13-14,22H,9-12,15-16H2,1H3/t22-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.30n/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))
BDBM50321794
PNG
((R)-1-(furan-2-yl)-6'-methoxy-2'-phenyl-6',7'-dihy...)
Show SMILES CO[C@H]1Cc2sc(cc2C2(CCN(Cc3ccco3)CC2)O1)-c1ccccc1 |r|
Show InChI InChI=1S/C23H25NO3S/c1-25-22-15-21-19(14-20(28-21)17-6-3-2-4-7-17)23(27-22)9-11-24(12-10-23)16-18-8-5-13-26-18/h2-8,13-14,22H,9-12,15-16H2,1H3/t22-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.30n/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