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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50321784'   
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))
BDBM50321784
PNG
((R)-6'-methoxy-1'-methyl-1-propyl-6',7'-dihydro-1'...)
Show SMILES CCCN1CCC2(CC1)O[C@H](Cc1c2cnn1C)OC |r|
Show InChI InChI=1S/C15H25N3O2/c1-4-7-18-8-5-15(6-9-18)12-11-16-17(2)13(12)10-14(19-3)20-15/h11,14H,4-10H2,1-3H3/t14-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
14n/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))
BDBM50321784
PNG
((R)-6'-methoxy-1'-methyl-1-propyl-6',7'-dihydro-1'...)
Show SMILES CCCN1CCC2(CC1)O[C@H](Cc1c2cnn1C)OC |r|
Show InChI InChI=1S/C15H25N3O2/c1-4-7-18-8-5-15(6-9-18)12-11-16-17(2)13(12)10-14(19-3)20-15/h11,14H,4-10H2,1-3H3/t14-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
14n/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))
BDBM50321784
PNG
((R)-6'-methoxy-1'-methyl-1-propyl-6',7'-dihydro-1'...)
Show SMILES CCCN1CCC2(CC1)O[C@H](Cc1c2cnn1C)OC |r|
Show InChI InChI=1S/C15H25N3O2/c1-4-7-18-8-5-15(6-9-18)12-11-16-17(2)13(12)10-14(19-3)20-15/h11,14H,4-10H2,1-3H3/t14-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+3n/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 guinea pig brain sigma 1 receptor after 180 mins by scintillation counting


J Med Chem 54: 6704-13 (2011)


Article DOI: 10.1021/jm200585k
BindingDB Entry DOI: 10.7270/Q22R3SN0
More data for this
Ligand-Target Pair