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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 = 'BDBM50120477'   
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


(Homo sapiens (Human))
BDBM50120477
PNG
(1'-benzylspiro[3,4-dihydro-1H-isochromene-1,4'-(he...)
Show SMILES N#CCC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
Show InChI InChI=1S/C22H24N2O/c23-13-10-20-16-19-8-4-5-9-21(19)22(25-20)11-14-24(15-12-22)17-18-6-2-1-3-7-18/h1-9,20H,10-12,14-17H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
15.9n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H](+)-pentazocine from Sigma opioid receptor type 1 of guinea pig brain


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50120477
PNG
(1'-benzylspiro[3,4-dihydro-1H-isochromene-1,4'-(he...)
Show SMILES N#CCC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
Show InChI InChI=1S/C22H24N2O/c23-13-10-20-16-19-8-4-5-9-21(19)22(25-20)11-14-24(15-12-22)17-18-6-2-1-3-7-18/h1-9,20H,10-12,14-17H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
16n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain cortex membranes


Bioorg Med Chem 22: 4277-84 (2014)


Article DOI: 10.1016/j.bmc.2014.05.033
BindingDB Entry DOI: 10.7270/Q29C702R
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50120477
PNG
(1'-benzylspiro[3,4-dihydro-1H-isochromene-1,4'-(he...)
Show SMILES N#CCC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
Show InChI InChI=1S/C22H24N2O/c23-13-10-20-16-19-8-4-5-9-21(19)22(25-20)11-14-24(15-12-22)17-18-6-2-1-3-7-18/h1-9,20H,10-12,14-17H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
4.70E+3n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H]ditolylguanidine in the presence of 100 nM (+)-pentazocine from Sigma opioid receptor type 2 of rat liver


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair