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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 = 'BDBM50321783'   
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))
BDBM50321783
PNG
((R)-1-benzyl-6'-methoxy-1'-methyl-6',7'-dihydro-1'...)
Show SMILES CO[C@H]1Cc2c(cnn2C)C2(CCN(Cc3ccccc3)CC2)O1 |r|
Show InChI InChI=1S/C19H25N3O2/c1-21-17-12-18(23-2)24-19(16(17)13-20-21)8-10-22(11-9-19)14-15-6-4-3-5-7-15/h3-7,13,18H,8-12,14H2,1-2H3/t18-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
21n/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
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50321783
PNG
((R)-1-benzyl-6'-methoxy-1'-methyl-6',7'-dihydro-1'...)
Show SMILES CO[C@H]1Cc2c(cnn2C)C2(CCN(Cc3ccccc3)CC2)O1 |r|
Show InChI InChI=1S/C19H25N3O2/c1-21-17-12-18(23-2)24-19(16(17)13-20-21)8-10-22(11-9-19)14-15-6-4-3-5-7-15/h3-7,13,18H,8-12,14H2,1-2H3/t18-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.98E+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 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))
BDBM50321783
PNG
((R)-1-benzyl-6'-methoxy-1'-methyl-6',7'-dihydro-1'...)
Show SMILES CO[C@H]1Cc2c(cnn2C)C2(CCN(Cc3ccccc3)CC2)O1 |r|
Show InChI InChI=1S/C19H25N3O2/c1-21-17-12-18(23-2)24-19(16(17)13-20-21)8-10-22(11-9-19)14-15-6-4-3-5-7-15/h3-7,13,18H,8-12,14H2,1-2H3/t18-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.98E+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 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