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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 = 'BDBM50321785'   
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))
BDBM50321785
PNG
(1'-methyl-1-(3-methylbut-2-enyl)-6',7'-dihydro-1'H...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#7]-1-[#6]-[#6]C2([#6]-[#6]-1)[#8]-[#6]-[#6]-c1c2cnn1-[#6]
Show InChI InChI=1S/C16H25N3O/c1-13(2)4-8-19-9-6-16(7-10-19)14-12-17-18(3)15(14)5-11-20-16/h4,12H,5-11H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.30n/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))
BDBM50321785
PNG
(1'-methyl-1-(3-methylbut-2-enyl)-6',7'-dihydro-1'H...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#7]-1-[#6]-[#6]C2([#6]-[#6]-1)[#8]-[#6]-[#6]-c1c2cnn1-[#6]
Show InChI InChI=1S/C16H25N3O/c1-13(2)4-8-19-9-6-16(7-10-19)14-12-17-18(3)15(14)5-11-20-16/h4,12H,5-11H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.30n/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