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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 = 'BDBM50120481'   
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))
BDBM50120481
PNG
(CHEMBL358541 | ethyl 1'-benzylspiro[3,4-dihydro-1H...)
Show SMILES CCOC(=O)C1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
Show InChI InChI=1S/C23H27NO3/c1-2-26-22(25)21-16-19-10-6-7-11-20(19)23(27-21)12-14-24(15-13-23)17-18-8-4-3-5-9-18/h3-11,21H,2,12-17H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
9.33n/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


(RAT)
BDBM50120481
PNG
(CHEMBL358541 | ethyl 1'-benzylspiro[3,4-dihydro-1H...)
Show SMILES CCOC(=O)C1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
Show InChI InChI=1S/C23H27NO3/c1-2-26-22(25)21-16-19-10-6-7-11-20(19)23(27-21)12-14-24(15-13-23)17-18-8-4-3-5-9-18/h3-11,21H,2,12-17H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.05E+4n/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