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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 = 'BDBM50000773'   
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))
BDBM50000773
PNG
(1-[2-(3,4-Dichloro-phenyl)-ethyl]-4-(3-fluoro-prop...)
Show SMILES FCCCN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C15H21Cl2FN2/c16-14-3-2-13(12-15(14)17)4-7-20-10-8-19(9-11-20)6-1-5-18/h2-3,12H,1,4-11H2
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.390n/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))
BDBM50000773
PNG
(1-[2-(3,4-Dichloro-phenyl)-ethyl]-4-(3-fluoro-prop...)
Show SMILES FCCCN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C15H21Cl2FN2/c16-14-3-2-13(12-15(14)17)4-7-20-10-8-19(9-11-20)6-1-5-18/h2-3,12H,1,4-11H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.390n/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