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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 = 'BDBM50000771'   
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))
BDBM50000771
PNG
(CHEMBL71049 | [2-(4,5-Dichloro-2-iodo-phenyl)-ethy...)
Show SMILES CN(CCN1CCCC1)CCc1cc(Cl)c(Cl)cc1I
Show InChI InChI=1S/C15H21Cl2IN2/c1-19(8-9-20-5-2-3-6-20)7-4-12-10-13(16)14(17)11-15(12)18/h10-11H,2-9H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.20n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor from guinea pig brain, using [3H](+)-pentazocine as radioligand.


J Med Chem 35: 2221-30 (1992)


BindingDB Entry DOI: 10.7270/Q24B31ZD
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50000771
PNG
(CHEMBL71049 | [2-(4,5-Dichloro-2-iodo-phenyl)-ethy...)
Show SMILES CN(CCN1CCCC1)CCc1cc(Cl)c(Cl)cc1I
Show InChI InChI=1S/C15H21Cl2IN2/c1-19(8-9-20-5-2-3-6-20)7-4-12-10-13(16)14(17)11-15(12)18/h10-11H,2-9H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.23n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor from guinea pig brain, using [3H](+)-pentazocine as radioligand.


J Med Chem 35: 2221-30 (1992)


BindingDB Entry DOI: 10.7270/Q24B31ZD
More data for this
Ligand-Target Pair