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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 = 'BDBM50006607'   
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


(RAT)
BDBM50006607
PNG
(CHEMBL3235465 | US9604926, Compound SN-79 | US9724...)
Show SMILES CC(=O)c1ccc2n(CCCCN3CCN(CC3)c3ccc(F)cc3)c(=O)oc2c1
Show InChI InChI=1S/C23H26FN3O3/c1-17(28)18-4-9-21-22(16-18)30-23(29)27(21)11-3-2-10-25-12-14-26(15-13-25)20-7-5-19(24)6-8-20/h4-9,16H,2-3,10-15H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
27n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma-1 opioid receptor in rat brain


J Med Chem 56: 7137-60 (2013)


Article DOI: 10.1021/jm301545c
BindingDB Entry DOI: 10.7270/Q22R3T54
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50006607
PNG
(CHEMBL3235465 | US9604926, Compound SN-79 | US9724...)
Show SMILES CC(=O)c1ccc2n(CCCCN3CCN(CC3)c3ccc(F)cc3)c(=O)oc2c1
Show InChI InChI=1S/C23H26FN3O3/c1-17(28)18-4-9-21-22(16-18)30-23(29)27(21)11-3-2-10-25-12-14-26(15-13-25)20-7-5-19(24)6-8-20/h4-9,16H,2-3,10-15H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
US Patent
>1.00E+5n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI; THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY

US Patent




US Patent US9724435 (2017)


BindingDB Entry DOI: 10.7270/Q2BZ6856
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50006607
PNG
(CHEMBL3235465 | US9604926, Compound SN-79 | US9724...)
Show SMILES CC(=O)c1ccc2n(CCCCN3CCN(CC3)c3ccc(F)cc3)c(=O)oc2c1
Show InChI InChI=1S/C23H26FN3O3/c1-17(28)18-4-9-21-22(16-18)30-23(29)27(21)11-3-2-10-25-12-14-26(15-13-25)20-7-5-19(24)6-8-20/h4-9,16H,2-3,10-15H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
US Patent
1.00E+5n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI

US Patent




US Patent US9604926 (2017)


BindingDB Entry DOI: 10.7270/Q27D2X6J
More data for this
Ligand-Target Pair